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

C25H33N7O2 — CID 162362238

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

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 162362238) 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)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 162362238
• Molecular Formula: C25H33N7O2
• Molecular Weight: 463.59 g/mol
• Exact Mass: 463.27
• IUPAC Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)cnn2C)nc1)C1CCC(C)CC1
• InChI: InChI=1S/C25H33N7O2/c1-5-32-21(12-13-27-32)24(33)30-22(18-8-6-16(2)7-9-18)25(34)29-19-10-11-20(26-15-19)23-17(3)14-28-31(23)4/h10-16,18,22H,5-9H2,1-4H3,(H,29,34)(H,30,33)/t16?,18?,22-/m0/s1
• InChIKey: XSXBSWVLJSJLDK-QRFVXNFXSA-N
• XLogP: 3.57
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.59
LogP ≤ 5	3.57
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)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (CID 162362238) is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)cnn2C)nc1)C1CCC(C)CC1.

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

The InChIKey is XSXBSWVLJSJLDK-QRFVXNFXSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-5-32-21(12-13-27-32)24(33)30-22(18-8-6-16(2)7-9-18)25(34)29-19-10-11-20(26-15-19)23-17(3)14-28-31(23)4/h10-16,18,22H,5-9H2,1-4H3,(H,29,34)(H,30,33)/t16?,18?,22-/m0/s1.

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

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.57, 7 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)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 162362238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).