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]-1,3-oxazole-5-carboxamide

C32H31ClN6O4 — CID 155114370

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]-1,3-oxazole-5-carboxamide

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]-1,3-oxazole-5-carboxamide (PubChem CID 155114370) has the molecular formula C32H31ClN6O4 and a molecular weight of 599.09 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]-1,3-oxazole-5-carboxamide.

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]-1,3-oxazole-5-carboxamide
• PubChem CID: 155114370
• Molecular Formula: C32H31ClN6O4
• Molecular Weight: 599.09 g/mol
• Exact Mass: 598.21
• 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]-1,3-oxazole-5-carboxamide
• SMILES: Cc1cnn(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3ccc(=O)n(C(C)C)c3)ccc2Cl)NC(=O)c2cnco2)cc1
• InChI: InChI=1S/C32H31ClN6O4/c1-19(2)39-17-23(8-12-29(39)40)22-7-11-26(33)24(13-22)14-27(37-32(42)28-16-34-18-43-28)31(41)36-25-9-5-21(6-10-25)30-20(3)15-35-38(30)4/h5-13,15-19,27H,14H2,1-4H3,(H,36,41)(H,37,42)/t27-/m0/s1
• InChIKey: PXNCZTPNRZCPRH-MHZLTWQESA-N
• XLogP: 5.43
• TPSA: 124.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.09
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-1,3-oxazole-5-carboxamide?

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]-1,3-oxazole-5-carboxamide (CID 155114370) 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]-1,3-oxazole-5-carboxamide.

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]-1,3-oxazole-5-carboxamide?

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]-1,3-oxazole-5-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3ccc(=O)n(C(C)C)c3)ccc2Cl)NC(=O)c2cnco2)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]-1,3-oxazole-5-carboxamide?

The InChIKey is PXNCZTPNRZCPRH-MHZLTWQESA-N. The full InChI is InChI=1S/C32H31ClN6O4/c1-19(2)39-17-23(8-12-29(39)40)22-7-11-26(33)24(13-22)14-27(37-32(42)28-16-34-18-43-28)31(41)36-25-9-5-21(6-10-25)30-20(3)15-35-38(30)4/h5-13,15-19,27H,14H2,1-4H3,(H,36,41)(H,37,42)/t27-/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]-1,3-oxazole-5-carboxamide?

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]-1,3-oxazole-5-carboxamide has a molecular weight of 599.09 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 155114370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).