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

C22H21F3N8O2 — CID 146380233

IUPAC3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C22H21F3N8O2/c1-32-7-2-3-13(32)9-29-20(34)18-19(26)31-17(21-27-6-8-35-21)16(30-18)12-4-5-15-28-10-14(22(23,24)25)33(15)11-12/h4-6,8,10-11,13H,2-3,7,9H2,1H3,(H2,26,31)(H,29,34)
InChIKeyPEBQXJRBPDHWPV-UHFFFAOYSA-N
MW486.46 g/mol
LogP2.87
Rot. Bonds5

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

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide (PubChem CID 146380233) has the molecular formula C22H21F3N8O2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
PubChem CID146380233
Molecular FormulaC22H21F3N8O2
Molecular Weight486.46 g/mol
Exact Mass486.17
IUPAC Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C22H21F3N8O2/c1-32-7-2-3-13(32)9-29-20(34)18-19(26)31-17(21-27-6-8-35-21)16(30-18)12-4-5-15-28-10-14(22(23,24)25)33(15)11-12/h4-6,8,10-11,13H,2-3,7,9H2,1H3,(H2,26,31)(H,29,34)
InChIKeyPEBQXJRBPDHWPV-UHFFFAOYSA-N
XLogP2.87
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-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-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide (CID 146380233) is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide is CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.
What is the InChIKey of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The InChIKey is PEBQXJRBPDHWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O2/c1-32-7-2-3-13(32)9-29-20(34)18-19(26)31-17(21-27-6-8-35-21)16(30-18)12-4-5-15-28-10-14(22(23,24)25)33(15)11-12/h4-6,8,10-11,13H,2-3,7,9H2,1H3,(H2,26,31)(H,29,34).
What are the key properties of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146380233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).