4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole

C23H30N4 — CID 12786466

IUPAC4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole
SMILESCc1cnc(CN2CCCC2)n2c1c(CCN1CCCC1)c1ccccc12
InChIInChI=1S/C23H30N4/c1-18-16-24-22(17-26-13-6-7-14-26)27-21-9-3-2-8-19(21)20(23(18)27)10-15-25-11-4-5-12-25/h2-3,8-9,16H,4-7,10-15,17H2,1H3
InChIKeyKGODWDSSYRGDLZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.03
Rot. Bonds5

About 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole

4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole (PubChem CID 12786466) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole.

Molecular Properties

Compound Name4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole
PubChem CID12786466
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole
SMILESCc1cnc(CN2CCCC2)n2c1c(CCN1CCCC1)c1ccccc12
InChIInChI=1S/C23H30N4/c1-18-16-24-22(17-26-13-6-7-14-26)27-21-9-3-2-8-19(21)20(23(18)27)10-15-25-11-4-5-12-25/h2-3,8-9,16H,4-7,10-15,17H2,1H3
InChIKeyKGODWDSSYRGDLZ-UHFFFAOYSA-N
XLogP4.03
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole 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 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole?
The IUPAC name of 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole (CID 12786466) is 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole.
What is the SMILES notation for 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole?
The canonical SMILES for 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole is Cc1cnc(CN2CCCC2)n2c1c(CCN1CCCC1)c1ccccc12.
What is the InChIKey of 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole?
The InChIKey is KGODWDSSYRGDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-18-16-24-22(17-26-13-6-7-14-26)27-21-9-3-2-8-19(21)20(23(18)27)10-15-25-11-4-5-12-25/h2-3,8-9,16H,4-7,10-15,17H2,1H3.
What are the key properties of 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole?
4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole has a molecular weight of 362.52 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole is sourced from PubChem (CID 12786466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).