3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C22H22F2N8O2 — CID 155209164

IUPAC3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H22F2N8O2/c1-12-8-27-15-4-3-13(10-32(12)15)16-17(21-26-5-6-34-21)30-19(25)18(29-16)20(33)28-9-14-7-22(23,24)11-31(14)2/h3-6,8,10,14H,7,9,11H2,1-2H3,(H2,25,30)(H,28,33)
InChIKeyIISRLLBVMUZTRR-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.41
Rot. Bonds5

About 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209164) has the molecular formula C22H22F2N8O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209164
Molecular FormulaC22H22F2N8O2
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC Name3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H22F2N8O2/c1-12-8-27-15-4-3-13(10-32(12)15)16-17(21-26-5-6-34-21)30-19(25)18(29-16)20(33)28-9-14-7-22(23,24)11-31(14)2/h3-6,8,10,14H,7,9,11H2,1-2H3,(H2,25,30)(H,28,33)
InChIKeyIISRLLBVMUZTRR-UHFFFAOYSA-N
XLogP2.41
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide 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-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209164) is 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is IISRLLBVMUZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O2/c1-12-8-27-15-4-3-13(10-32(12)15)16-17(21-26-5-6-34-21)30-19(25)18(29-16)20(33)28-9-14-7-22(23,24)11-31(14)2/h3-6,8,10,14H,7,9,11H2,1-2H3,(H2,25,30)(H,28,33).
What are the key properties of 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 468.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).