6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H19F3N6O — CID 122510828

IUPAC6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCN(CC(F)F)C4)cn12
InChIInChI=1S/C22H19F3N6O/c23-15-4-1-13(2-5-15)20-21(30-8-7-29(11-17(24)25)12-19(30)28-20)14-3-6-18-27-9-16(22(26)32)31(18)10-14/h1-6,9-10,17H,7-8,11-12H2,(H2,26,32)
InChIKeyVHJMTDJWLOCXKK-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.18
Rot. Bonds5

About 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510828) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510828
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCN(CC(F)F)C4)cn12
InChIInChI=1S/C22H19F3N6O/c23-15-4-1-13(2-5-15)20-21(30-8-7-29(11-17(24)25)12-19(30)28-20)14-3-6-18-27-9-16(22(26)32)31(18)10-14/h1-6,9-10,17H,7-8,11-12H2,(H2,26,32)
InChIKeyVHJMTDJWLOCXKK-UHFFFAOYSA-N
XLogP3.18
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-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 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510828) is 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCN(CC(F)F)C4)cn12.
What is the InChIKey of 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VHJMTDJWLOCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-15-4-1-13(2-5-15)20-21(30-8-7-29(11-17(24)25)12-19(30)28-20)14-3-6-18-27-9-16(22(26)32)31(18)10-14/h1-6,9-10,17H,7-8,11-12H2,(H2,26,32).
What are the key properties of 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2,2-difluoroethyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).