Molecules/7-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
7-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
4-amino-6-(2-cyclopropylethynyl)-7-[(3R,5S)-5-methyl-1-prop-2-enoylpyrrolidin-3-yl]-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Molecular Identity
7-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
4-amino-6-(2-cyclopropylethynyl)-7-[(3R,5S)-5-methyl-1-prop-2-enoylpyrrolidin-3-yl]-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID: 154642628
2D Structure
Properties
C28H30N6O2
Molecular Formula
482.60
Molecular Weight
g/mol
482.2430
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
915
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(CN1C(=O)C=C)N2C(=C(C3=C(N=CN=C32)N)C(=O)NC(C)C4=CC=CC=C4)C#CC5CC5Isomeric SMILES
SMILES: C[C@H]1C[C@H](CN1C(=O)C=C)N2C(=C(C3=C(N=CN=C32)N)C(=O)N[C@H](C)C4=CC=CC=C4)C#CC5CC5Synonyms(15)
TAS2940TAS-29402451398-65-37-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamideBH3HBT8UTBorb2815183SCHEMBL22221985GLXC-26485EX-A7860NSC854600NSC-854600HY-153856T2025274-Amino-6-(2-cyclopropylethynyl)-7-[(3R,5S)-5-methyl-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide7H-PYRROLO(2,3-D)PYRIMIDINE-5-CARBOXAMIDE, 4-AMINO-6-(2-CYCLOPROPYLETHYNYL)-7-((3R,5S)-5-METHYL-1-(1-OXO-2-PROPEN-1-YL)-3-PYRROLIDINYL)-N-((1R)-1-PHENYLETHYL)
Data from PubChem (NCBI)
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Molecular Structure
7-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
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Drug Network
Trials and conditions connected to 7-((3R,5S)-1-Acryloyl-5-methylpyrrolidin-3-yl)-4-amino-6-(cyclopropylethynyl)-N-((R)-1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
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