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

IUPACN-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1ncc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1Cl
InChIInChI=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
InChIKeyLASSLZULRSPVHE-UHFFFAOYSA-N
MW566.15 g/mol
LogP6.44
Rot. Bonds8

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 NameN-[[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 CID135329938
Molecular FormulaC31H40ClN5O3
Molecular Weight566.15 g/mol
Exact Mass565.28
IUPAC NameN-[[4-(5-chloro-6-methoxy-3-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1ncc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)cc1Cl
InChIInChI=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
InChIKeyLASSLZULRSPVHE-UHFFFAOYSA-N
XLogP6.44
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.15
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).