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

C22H22N6O — CID 42635984

IUPAC1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H22N6O/c23-21(29)16-10-24-22(28-19(11-1-2-11)12-3-4-12)18-15-6-5-13(14-8-25-26-9-14)7-17(15)27-20(16)18/h5-12,19,27H,1-4H2,(H2,23,29)(H,24,28)(H,25,26)
InChIKeyVLSYEZFPVCVHNR-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.81
Rot. Bonds6

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

1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635984) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635984
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H22N6O/c23-21(29)16-10-24-22(28-19(11-1-2-11)12-3-4-12)18-15-6-5-13(14-8-25-26-9-14)7-17(15)27-20(16)18/h5-12,19,27H,1-4H2,(H2,23,29)(H,24,28)(H,25,26)
InChIKeyVLSYEZFPVCVHNR-UHFFFAOYSA-N
XLogP3.81
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-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-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635984) is 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is VLSYEZFPVCVHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-21(29)16-10-24-22(28-19(11-1-2-11)12-3-4-12)18-15-6-5-13(14-8-25-26-9-14)7-17(15)27-20(16)18/h5-12,19,27H,1-4H2,(H2,23,29)(H,24,28)(H,25,26).
What are the key properties of 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).