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

C₃₁H₄₀ClN₅O₃ — CID 135329938

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

N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 135329938) has the molecular formula C₃₁H₄₀ClN₅O₃ and a molecular weight of 566.15 g/mol. Its IUPAC name is N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
• PubChem CID: 135329938
• Molecular Formula: C₃₁H₄₀ClN₅O₃
• Molecular Weight: 566.15 g/mol
• Exact Mass: 565.28
• IUPAC Name: N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
• SMILES: COc1ncc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1Cl
• InChI: InChI=1S/C31H40ClN5O3/c1-20(2)37-19-26(17-35-37)24-12-13-33-29(15-24)36(31(39)23-8-10-27(38)11-9-23)18-21-4-6-22(7-5-21)25-14-28(32)30(40-3)34-16-25/h12-17,19-23,27,38H,4-11,18H2,1-3H3
• InChIKey: LASSLZULRSPVHE-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.15
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 135329938) is N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

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

The canonical SMILES for N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is COc1ncc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1Cl.

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

The InChIKey is LASSLZULRSPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40ClN5O3/c1-20(2)37-19-26(17-35-37)24-12-13-33-29(15-24)36(31(39)23-8-10-27(38)11-9-23)18-21-4-6-22(7-5-21)25-14-28(32)30(40-3)34-16-25/h12-17,19-23,27,38H,4-11,18H2,1-3H3.

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

N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 566.15 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135329938 — identifiers, structure, computed properties (public domain)

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