N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide

C30H34N6O3 — CID 175449327

About N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 175449327) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 175449327
• Molecular Formula: C30H34N6O3
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.27
• IUPAC Name: N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1cnn(C)c1-c1ccc(Nc2ccc(C(=O)[C@@H](NC(=O)c3conc3C)C3CCCCCC3)cc2)nc1
• InChI: InChI=1S/C30H34N6O3/c1-19-16-32-36(3)28(19)23-12-15-26(31-17-23)33-24-13-10-22(11-14-24)29(37)27(21-8-6-4-5-7-9-21)34-30(38)25-18-39-35-20(25)2/h10-18,21,27H,4-9H2,1-3H3,(H,31,33)(H,34,38)/t27-/m0/s1
• InChIKey: DODXJWGOKUXQFD-MHZLTWQESA-N
• XLogP: 5.78
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 175449327) is N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1cnn(C)c1-c1ccc(Nc2ccc(C(=O)[C@@H](NC(=O)c3conc3C)C3CCCCCC3)cc2)nc1.

What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is DODXJWGOKUXQFD-MHZLTWQESA-N. The full InChI is InChI=1S/C30H34N6O3/c1-19-16-32-36(3)28(19)23-12-15-26(31-17-23)33-24-13-10-22(11-14-24)29(37)27(21-8-6-4-5-7-9-21)34-30(38)25-18-39-35-20(25)2/h10-18,21,27H,4-9H2,1-3H3,(H,31,33)(H,34,38)/t27-/m0/s1.

What are the key properties of N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?

N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175449327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).