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

C26H35N7O2 — CID 162362367

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

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 162362367) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 162362367
• Molecular Formula: C26H35N7O2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.29
• IUPAC Name: N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCC(C)CC2)cn1
• InChI: InChI=1S/C26H35N7O2/c1-16(2)33-22(12-13-28-33)25(34)31-23(19-8-6-17(3)7-9-19)26(35)30-20-10-11-21(27-15-20)24-18(4)14-29-32(24)5/h10-17,19,23H,6-9H2,1-5H3,(H,30,35)(H,31,34)/t17?,19?,23-/m0/s1
• InChIKey: VFJOKRPKRDQARO-WFHLNLCJSA-N
• XLogP: 4.13
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.13
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-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 162362367) is N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-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-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCC(C)CC2)cn1.

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

The InChIKey is VFJOKRPKRDQARO-WFHLNLCJSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-16(2)33-22(12-13-28-33)25(34)31-23(19-8-6-17(3)7-9-19)26(35)30-20-10-11-21(27-15-20)24-18(4)14-29-32(24)5/h10-17,19,23H,6-9H2,1-5H3,(H,30,35)(H,31,34)/t17?,19?,23-/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-propan-2-ylpyrazole-3-carboxamide?

N-[(1S)-2-[[6-(1,4-dimethylpyrazol-5-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.13, 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-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 162362367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).