6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide

C23H28N6O2 — CID 136639230

IUPAC6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)C(=O)C1C=CC=CC1(C)Nc1nn(C2CCCCC2C#N)c2cc[nH]c(=O)c12
InChIInChI=1S/C23H28N6O2/c1-23(12-7-6-9-16(23)22(31)28(2)3)26-20-19-18(11-13-25-21(19)30)29(27-20)17-10-5-4-8-15(17)14-24/h6-7,9,11-13,15-17H,4-5,8,10H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyNQGXAIJEAGTICR-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.98
Rot. Bonds4

About 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide

6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 136639230) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID136639230
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)C(=O)C1C=CC=CC1(C)Nc1nn(C2CCCCC2C#N)c2cc[nH]c(=O)c12
InChIInChI=1S/C23H28N6O2/c1-23(12-7-6-9-16(23)22(31)28(2)3)26-20-19-18(11-13-25-21(19)30)29(27-20)17-10-5-4-8-15(17)14-24/h6-7,9,11-13,15-17H,4-5,8,10H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyNQGXAIJEAGTICR-UHFFFAOYSA-N
XLogP2.98
TPSA106.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-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 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide (CID 136639230) is 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide is CN(C)C(=O)C1C=CC=CC1(C)Nc1nn(C2CCCCC2C#N)c2cc[nH]c(=O)c12.
What is the InChIKey of 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is NQGXAIJEAGTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-23(12-7-6-9-16(23)22(31)28(2)3)26-20-19-18(11-13-25-21(19)30)29(27-20)17-10-5-4-8-15(17)14-24/h6-7,9,11-13,15-17H,4-5,8,10H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-cyanocyclohexyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N,6-trimethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 136639230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).