7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C23H23N7O — CID 42635901

IUPAC7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12
InChIInChI=1S/C23H23N7O/c24-21(31)16-10-26-22(30-19(11-1-2-11)12-3-4-12)18-15-6-5-13(7-17(15)29-20(16)18)14-8-27-23(25)28-9-14/h5-12,19,29H,1-4H2,(H2,24,31)(H,26,30)(H2,25,27,28)
InChIKeyHBDARCLZIJMRIA-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.45
Rot. Bonds6

About 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635901) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635901
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12
InChIInChI=1S/C23H23N7O/c24-21(31)16-10-26-22(30-19(11-1-2-11)12-3-4-12)18-15-6-5-13(7-17(15)29-20(16)18)14-8-27-23(25)28-9-14/h5-12,19,29H,1-4H2,(H2,24,31)(H,26,30)(H2,25,27,28)
InChIKeyHBDARCLZIJMRIA-UHFFFAOYSA-N
XLogP3.45
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-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 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635901) is 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12.
What is the InChIKey of 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is HBDARCLZIJMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c24-21(31)16-10-26-22(30-19(11-1-2-11)12-3-4-12)18-15-6-5-13(7-17(15)29-20(16)18)14-8-27-23(25)28-9-14/h5-12,19,29H,1-4H2,(H2,24,31)(H,26,30)(H2,25,27,28).
What are the key properties of 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-5-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).