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

C21H20F2N8O2 — CID 155209267

IUPAC3-amino-N-[(4,4-difluoropyrrolidin-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)CN4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C21H20F2N8O2/c1-11-7-26-14-3-2-12(9-31(11)14)15-16(20-25-4-5-33-20)30-18(24)17(29-15)19(32)27-8-13-6-21(22,23)10-28-13/h2-5,7,9,13,28H,6,8,10H2,1H3,(H2,24,30)(H,27,32)
InChIKeyCRUMYXPXNFVKBZ-UHFFFAOYSA-N
MW454.44 g/mol
LogP2.06
Rot. Bonds5

About 3-amino-N-[(4,4-difluoropyrrolidin-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-difluoropyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209267) has the molecular formula C21H20F2N8O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 3-amino-N-[(4,4-difluoropyrrolidin-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-difluoropyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209267
Molecular FormulaC21H20F2N8O2
Molecular Weight454.44 g/mol
Exact Mass454.17
IUPAC Name3-amino-N-[(4,4-difluoropyrrolidin-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)CN4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C21H20F2N8O2/c1-11-7-26-14-3-2-12(9-31(11)14)15-16(20-25-4-5-33-20)30-18(24)17(29-15)19(32)27-8-13-6-21(22,23)10-28-13/h2-5,7,9,13,28H,6,8,10H2,1H3,(H2,24,30)(H,27,32)
InChIKeyCRUMYXPXNFVKBZ-UHFFFAOYSA-N
XLogP2.06
TPSA136.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(4,4-difluoropyrrolidin-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-difluoropyrrolidin-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-difluoropyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209267) is 3-amino-N-[(4,4-difluoropyrrolidin-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-difluoropyrrolidin-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-difluoropyrrolidin-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)CN4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[(4,4-difluoropyrrolidin-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is CRUMYXPXNFVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8O2/c1-11-7-26-14-3-2-12(9-31(11)14)15-16(20-25-4-5-33-20)30-18(24)17(29-15)19(32)27-8-13-6-21(22,23)10-28-13/h2-5,7,9,13,28H,6,8,10H2,1H3,(H2,24,30)(H,27,32).
What are the key properties of 3-amino-N-[(4,4-difluoropyrrolidin-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-difluoropyrrolidin-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 454.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,4-difluoropyrrolidin-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 155209267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).