N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine

C24H29N5 — CID 46900714

IUPACN-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine
SMILESc1ccc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2c1
InChIInChI=1S/C24H29N5/c1-2-7-20(8-3-1)27-23-17-19(10-11-26-23)22-16-18-6-4-5-9-21(18)24(28-22)29-14-12-25-13-15-29/h4-6,9-11,16-17,20,25H,1-3,7-8,12-15H2,(H,26,27)
InChIKeyNTQNLDBVWGBOOC-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.45
Rot. Bonds4

About N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine

N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine (PubChem CID 46900714) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine
PubChem CID46900714
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine
SMILESc1ccc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2c1
InChIInChI=1S/C24H29N5/c1-2-7-20(8-3-1)27-23-17-19(10-11-26-23)22-16-18-6-4-5-9-21(18)24(28-22)29-14-12-25-13-15-29/h4-6,9-11,16-17,20,25H,1-3,7-8,12-15H2,(H,26,27)
InChIKeyNTQNLDBVWGBOOC-UHFFFAOYSA-N
XLogP4.45
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine 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 N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine (CID 46900714) is N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine is c1ccc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2c1.
What is the InChIKey of N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine?
The InChIKey is NTQNLDBVWGBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-2-7-20(8-3-1)27-23-17-19(10-11-26-23)22-16-18-6-4-5-9-21(18)24(28-22)29-14-12-25-13-15-29/h4-6,9-11,16-17,20,25H,1-3,7-8,12-15H2,(H,26,27).
What are the key properties of N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine?
N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-piperazin-1-ylisoquinolin-3-yl)pyridin-2-amine is sourced from PubChem (CID 46900714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).