1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C21H22N6O — CID 56594790

IUPAC1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C21H22N6O/c22-20(28)15-11-23-21(25-13-4-2-1-3-5-13)18-14-7-6-12(16-8-9-24-27-16)10-17(14)26-19(15)18/h6-11,13,26H,1-5H2,(H2,22,28)(H,23,25)(H,24,27)
InChIKeyHCVISALGHUEHJA-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.95
Rot. Bonds4

About 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 56594790) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID56594790
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C21H22N6O/c22-20(28)15-11-23-21(25-13-4-2-1-3-5-13)18-14-7-6-12(16-8-9-24-27-16)10-17(14)26-19(15)18/h6-11,13,26H,1-5H2,(H2,22,28)(H,23,25)(H,24,27)
InChIKeyHCVISALGHUEHJA-UHFFFAOYSA-N
XLogP3.95
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-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 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 56594790) is 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is HCVISALGHUEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-20(28)15-11-23-21(25-13-4-2-1-3-5-13)18-14-7-6-12(16-8-9-24-27-16)10-17(14)26-19(15)18/h6-11,13,26H,1-5H2,(H2,22,28)(H,23,25)(H,24,27).
What are the key properties of 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-7-(1H-pyrazol-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 56594790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).