N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide

C₃₃H₄₁N₅O₃ — CID 135329965

About N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide

N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 135329965) has the molecular formula C₃₃H₄₁N₅O₃ and a molecular weight of 555.72 g/mol. Its IUPAC name is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide
• PubChem CID: 135329965
• Molecular Formula: C₃₃H₄₁N₅O₃
• Molecular Weight: 555.72 g/mol
• Exact Mass: 555.32
• IUPAC Name: N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)nc1C#N
• InChI: InChI=1S/C33H41N5O3/c1-22(2)38-21-27(19-35-38)26-5-4-6-28(17-26)37(33(40)25-11-13-29(39)14-12-25)20-23-7-9-24(10-8-23)30-15-16-32(41-3)31(18-34)36-30/h4-6,15-17,19,21-25,29,39H,7-14,20H2,1-3H3
• InChIKey: ONYSBSAECLFECX-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 104.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.72
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide (CID 135329965) is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)nc1C#N.

What is the InChIKey of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The InChIKey is ONYSBSAECLFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O3/c1-22(2)38-21-27(19-35-38)26-5-4-6-28(17-26)37(33(40)25-11-13-29(39)14-12-25)20-23-7-9-24(10-8-23)30-15-16-32(41-3)31(18-34)36-30/h4-6,15-17,19,21-25,29,39H,7-14,20H2,1-3H3.

What are the key properties of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135329965 — identifiers, structure, computed properties (public domain)

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