Pf-06815345
[(1S)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] ethyl carbonate
Molecular Identity
Pf-06815345
[(1S)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] ethyl carbonate
PubChem CID: 121276853
2D Structure
Properties
C27H29ClFN9O4
Molecular Formula
598.00
Molecular Weight
g/mol
597.2015
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
142
TPSA
May have limited oral absorption
1
H-Bond Donors
11
H-Bond Acceptors
927
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)OC(C)N1C(=NN=N1)C2=C(C=NN2C)C3=C(C=C(C=C3)C(=O)N(C4CCCNC4)C5=C(C=CC=N5)Cl)FIsomeric SMILES
SMILES: CCOC(=O)O[C@@H](C)N1C(=NN=N1)C2=C(C=NN2C)C3=C(C=C(C=C3)C(=O)N([C@@H]4CCCNC4)C5=C(C=CC=N5)Cl)FSynonyms(19)
PF-068153454H9X9HO87K1900686-46-5UNII-4H9X9HO87KCarbonic acid, (1S)-1-(5-(4-(4-(((3-chloro-2-pyridinyl)(3R)-3-piperidinylamino)carbonyl)-2-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)-1H-tetrazol-1-yl)ethyl ethyl ester(1S)-1-(5-(4-(4-((3-chloropyridin-2-yl)((3R)-piperidin-3-yl)carbamoyl)-2-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)-1H-1,2,3,4-tetrazol-1-yl)ethyl ethyl carbonate(1S)-1-[5-(4-{4-[(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl}-1-methyl-1H-pyrazol-5-yl)-1H-1,2,3,4-tetrazol-1-yl]ethyl ethyl carbonateRefChem:172263MDK6465orb1739411CHEMBL4227721SCHEMBL17679145SCHEMBL30864636DB14862EBC-501098
Data from PubChem (NCBI)
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