3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine

C23H26N6 — CID 177176894

IUPAC3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine
SMILESCC1CCC(Nc2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1
InChIInChI=1S/C23H26N6/c1-15-2-6-18(7-3-15)27-21-9-8-19-23(28-21)29-22(14-25-19)26-13-16-4-5-17-10-11-24-20(17)12-16/h4-5,8-12,14-15,18,24H,2-3,6-7,13H2,1H3,(H2,26,27,28,29)
InChIKeyPBITUNOZOOBGET-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.11
Rot. Bonds5

About 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine

3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine (PubChem CID 177176894) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine
PubChem CID177176894
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine
SMILESCC1CCC(Nc2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1
InChIInChI=1S/C23H26N6/c1-15-2-6-18(7-3-15)27-21-9-8-19-23(28-21)29-22(14-25-19)26-13-16-4-5-17-10-11-24-20(17)12-16/h4-5,8-12,14-15,18,24H,2-3,6-7,13H2,1H3,(H2,26,27,28,29)
InChIKeyPBITUNOZOOBGET-UHFFFAOYSA-N
XLogP5.11
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine 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 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine?
The IUPAC name of 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine (CID 177176894) is 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine.
What is the SMILES notation for 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine?
The canonical SMILES for 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine is CC1CCC(Nc2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1.
What is the InChIKey of 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine?
The InChIKey is PBITUNOZOOBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-15-2-6-18(7-3-15)27-21-9-8-19-23(28-21)29-22(14-25-19)26-13-16-4-5-17-10-11-24-20(17)12-16/h4-5,8-12,14-15,18,24H,2-3,6-7,13H2,1H3,(H2,26,27,28,29).
What are the key properties of 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine?
3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine has a molecular weight of 386.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1H-indol-6-ylmethyl)-6-N-(4-methylcyclohexyl)pyrido[2,3-b]pyrazine-3,6-diamine is sourced from PubChem (CID 177176894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).