N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C₂₆H₂₉N₇O₂ — CID 151877420

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 151877420) has the molecular formula C₂₆H₂₉N₇O₂ and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• PubChem CID: 151877420
• Molecular Formula: C₂₆H₂₉N₇O₂
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• SMILES: Cc1c(Cc2ccc(-c3cnn(C)c3)nc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1
• InChI: InChI=1S/C26H29N7O2/c1-17-19(12-18-8-9-21(27-14-18)20-15-29-32(2)16-20)13-23(30-25(17)33-11-5-10-28-33)26(35)31-22-6-3-4-7-24(22)34/h5,8-11,13-16,22,24,34H,3-4,6-7,12H2,1-2H3,(H,31,35)/t22-,24-/m0/s1
• InChIKey: SNYYWUAWALKGPS-UPVQGACJSA-N
• XLogP: 3.00
• TPSA: 110.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 151877420) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3cnn(C)c3)nc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1.

What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The InChIKey is SNYYWUAWALKGPS-UPVQGACJSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-19(12-18-8-9-21(27-14-18)20-15-29-32(2)16-20)13-23(30-25(17)33-11-5-10-28-33)26(35)31-22-6-3-4-7-24(22)34/h5,8-11,13-16,22,24,34H,3-4,6-7,12H2,1-2H3,(H,31,35)/t22-,24-/m0/s1.

What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 151877420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151877420 — identifiers, structure, computed properties (public domain)

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