N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C25H33N7O2 — CID 168679400

About N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 168679400) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 168679400
• Molecular Formula: C25H33N7O2
• Molecular Weight: 463.59 g/mol
• Exact Mass: 463.27
• IUPAC Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cc1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)cnc1-c1c(C)cnn1C
• InChI: InChI=1S/C25H33N7O2/c1-15-6-8-18(9-7-15)22(30-24(33)20-10-11-27-31(20)4)25(34)29-19-12-16(2)21(26-14-19)23-17(3)13-28-32(23)5/h10-15,18,22H,6-9H2,1-5H3,(H,29,34)(H,30,33)/t15?,18?,22-/m0/s1
• InChIKey: VNJPSRDHDRSYOH-URWDPPFZSA-N
• XLogP: 3.40
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.59
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 168679400) is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)cnc1-c1c(C)cnn1C.

What is the InChIKey of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is VNJPSRDHDRSYOH-URWDPPFZSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-15-6-8-18(9-7-15)22(30-24(33)20-10-11-27-31(20)4)25(34)29-19-12-16(2)21(26-14-19)23-17(3)13-28-32(23)5/h10-15,18,22H,6-9H2,1-5H3,(H,29,34)(H,30,33)/t15?,18?,22-/m0/s1.

What are the key properties of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-5-methyl-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168679400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).