N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide

C32H34ClN5O3 — CID 155101727

About N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide

N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide (PubChem CID 155101727) has the molecular formula C32H34ClN5O3 and a molecular weight of 572.11 g/mol. Its IUPAC name is N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide
• PubChem CID: 155101727
• Molecular Formula: C32H34ClN5O3
• Molecular Weight: 572.11 g/mol
• Exact Mass: 571.24
• IUPAC Name: N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide
• SMILES: Cc1cnn(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3ccc(=O)n(C(C)C)c3)ccc2Cl)NC(=O)C2CC2)cc1
• InChI: InChI=1S/C32H34ClN5O3/c1-19(2)38-18-24(10-14-29(38)39)23-9-13-27(33)25(15-23)16-28(36-31(40)22-5-6-22)32(41)35-26-11-7-21(8-12-26)30-20(3)17-34-37(30)4/h7-15,17-19,22,28H,5-6,16H2,1-4H3,(H,35,41)(H,36,40)/t28-/m0/s1
• InChIKey: NUYXAVXIIJYVRC-NDEPHWFRSA-N
• XLogP: 5.53
• TPSA: 98.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.11
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide (CID 155101727) is N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3ccc(=O)n(C(C)C)c3)ccc2Cl)NC(=O)C2CC2)cc1.

What is the InChIKey of N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide?

The InChIKey is NUYXAVXIIJYVRC-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H34ClN5O3/c1-19(2)38-18-24(10-14-29(38)39)23-9-13-27(33)25(15-23)16-28(36-31(40)22-5-6-22)32(41)35-26-11-7-21(8-12-26)30-20(3)17-34-37(30)4/h7-15,17-19,22,28H,5-6,16H2,1-4H3,(H,35,41)(H,36,40)/t28-/m0/s1.

What are the key properties of N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide?

N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide has a molecular weight of 572.11 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-oxopropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155101727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).