Molecules/(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

C32H31N5O3533.60 g/molCID 46212971

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Molecular Identity

(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

PubChem CID: 46212971

2D Structure

Properties

C₃₂H₃₁N₅O₃

Molecular Formula

533.60

Molecular Weight

g/mol

533.2427

Exact Mass

4.9

XLogP

Drug-like (Lipinski: < 5)

104

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

812

Complexity

SMILES

Canonical SMILES

SMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)NC(CO)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

SMILES: CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)N[C@H](CO)C4=CC=CC=C4)C5=CC=CC=C5

Synonyms(20)

DBPR1121226549-49-0GozanertinibDBPR-112(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamideCHEMBL4521381ABT-101(2E)-4-(Dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]-2-butenamide(S,E)-4-(dimethylamino)-N-(3-(4-((2-hydroxy-1-phenylethyl)amino)-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl)but-2-enamidegozanertinib [INN]CID 462129716G0COS33K4ABT101DBPR112?orb1709923

Data from PubChem (NCBI)

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Molecular Structure

(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

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Source: PubChem

Drug Network

Trials and conditions connected to (E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

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