1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one

C24H27N7O2 — CID 158440090

IUPAC1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCC4CC(C)(C)CN4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C24H27N7O2/c1-14-11-27-18-7-4-15(12-31(14)18)19-21(23-26-8-9-33-23)30-22(25)20(29-19)17(32)6-5-16-10-24(2,3)13-28-16/h4,7-9,11-12,16,28H,5-6,10,13H2,1-3H3,(H2,25,30)
InChIKeyMCYDDQRQJHUQPT-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.69
Rot. Bonds6

About 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one

1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one (PubChem CID 158440090) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one
PubChem CID158440090
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCC4CC(C)(C)CN4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C24H27N7O2/c1-14-11-27-18-7-4-15(12-31(14)18)19-21(23-26-8-9-33-23)30-22(25)20(29-19)17(32)6-5-16-10-24(2,3)13-28-16/h4,7-9,11-12,16,28H,5-6,10,13H2,1-3H3,(H2,25,30)
InChIKeyMCYDDQRQJHUQPT-UHFFFAOYSA-N
XLogP3.69
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one 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 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one (CID 158440090) is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one is Cc1cnc2ccc(-c3nc(C(=O)CCC4CC(C)(C)CN4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one?
The InChIKey is MCYDDQRQJHUQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14-11-27-18-7-4-15(12-31(14)18)19-21(23-26-8-9-33-23)30-22(25)20(29-19)17(32)6-5-16-10-24(2,3)13-28-16/h4,7-9,11-12,16,28H,5-6,10,13H2,1-3H3,(H2,25,30).
What are the key properties of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one?
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one has a molecular weight of 445.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 158440090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).