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

C32H40N6O3 — CID 135330019

IUPACN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)nc1C#N
InChIInChI=1S/C32H40N6O3/c1-21(2)38-20-26(18-35-38)25-14-15-34-31(16-25)37(32(40)24-8-10-27(39)11-9-24)19-22-4-6-23(7-5-22)28-12-13-30(41-3)29(17-33)36-28/h12-16,18,20-24,27,39H,4-11,19H2,1-3H3
InChIKeyQCWBKZOODHCFJT-UHFFFAOYSA-N
MW556.71 g/mol
LogP5.66
Rot. Bonds8

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

N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 135330019) has the molecular formula C32H40N6O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID135330019
Molecular FormulaC32H40N6O3
Molecular Weight556.71 g/mol
Exact Mass556.32
IUPAC NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)nc1C#N
InChIInChI=1S/C32H40N6O3/c1-21(2)38-20-26(18-35-38)25-14-15-34-31(16-25)37(32(40)24-8-10-27(39)11-9-24)19-22-4-6-23(7-5-22)28-12-13-30(41-3)29(17-33)36-28/h12-16,18,20-24,27,39H,4-11,19H2,1-3H3
InChIKeyQCWBKZOODHCFJT-UHFFFAOYSA-N
XLogP5.66
TPSA117.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 135330019) is N-[[4-(6-cyano-5-methoxy-2-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-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C(C)C)c4)ccn3)CC2)nc1C#N.
What is the InChIKey of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is QCWBKZOODHCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3/c1-21(2)38-20-26(18-35-38)25-14-15-34-31(16-25)37(32(40)24-8-10-27(39)11-9-24)19-22-4-6-23(7-5-22)28-12-13-30(41-3)29(17-33)36-28/h12-16,18,20-24,27,39H,4-11,19H2,1-3H3.
What are the key properties of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-4-hydroxy-N-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135330019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).