3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

C22H24N6O2 — CID 41248653

IUPAC3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N6O2/c1-13-16(14(2)28-12-26-20(21(23)30)22(28)27-13)7-8-19(29)24-10-9-15-11-25-18-6-4-3-5-17(15)18/h3-6,11-12,25H,7-10H2,1-2H3,(H2,23,30)(H,24,29)
InChIKeyDCVSDLHUXIPQBZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.22
Rot. Bonds7

About 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 41248653) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID41248653
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N6O2/c1-13-16(14(2)28-12-26-20(21(23)30)22(28)27-13)7-8-19(29)24-10-9-15-11-25-18-6-4-3-5-17(15)18/h3-6,11-12,25H,7-10H2,1-2H3,(H2,23,30)(H,24,29)
InChIKeyDCVSDLHUXIPQBZ-UHFFFAOYSA-N
XLogP2.22
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 25497232
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604253
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679216
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 74246486
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 28736534
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956433
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 41248653) is 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is DCVSDLHUXIPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-13-16(14(2)28-12-26-20(21(23)30)22(28)27-13)7-8-19(29)24-10-9-15-11-25-18-6-4-3-5-17(15)18/h3-6,11-12,25H,7-10H2,1-2H3,(H2,23,30)(H,24,29).
What are the key properties of 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide?
3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 41248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).