N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C24H31N7O2 — CID 162362200

About N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362200) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 162362200
• Molecular Formula: C24H31N7O2
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.25
• IUPAC Name: N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)nc1
• InChI: InChI=1S/C24H31N7O2/c1-14-5-7-17(8-6-14)22(28-23(32)19-11-12-26-31(19)4)24(33)27-20-10-9-18(13-25-20)21-15(2)29-30-16(21)3/h9-14,17,22H,5-8H2,1-4H3,(H,28,32)(H,29,30)(H,25,27,33)/t14?,17?,22-/m0/s1
• InChIKey: YFCWGGJSCOSFIM-ANVANCSPSA-N
• XLogP: 3.39
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362200) is N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)nc1.

What is the InChIKey of N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is YFCWGGJSCOSFIM-ANVANCSPSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-14-5-7-17(8-6-14)22(28-23(32)19-11-12-26-31(19)4)24(33)27-20-10-9-18(13-25-20)21-15(2)29-30-16(21)3/h9-14,17,22H,5-8H2,1-4H3,(H,28,32)(H,29,30)(H,25,27,33)/t14?,17?,22-/m0/s1.

What are the key properties of N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).