(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile

C23H12F4N4O — CID 5330642

IUPAC(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile
SMILESN#C/C=C(/c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F
InChIInChI=1S/C23H12F4N4O/c24-14-3-1-4-15(25)19(14)13(9-10-28)12-7-8-18-30-23(29)21(31(18)11-12)22(32)20-16(26)5-2-6-17(20)27/h1-9,11H,29H2/b13-9-
InChIKeyCRXBYOWJISXKAI-LCYFTJDESA-N
MW436.37 g/mol
LogP4.66
Rot. Bonds4

About (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile

(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile (PubChem CID 5330642) has the molecular formula C23H12F4N4O and a molecular weight of 436.37 g/mol. Its IUPAC name is (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile
PubChem CID5330642
Molecular FormulaC23H12F4N4O
Molecular Weight436.37 g/mol
Exact Mass436.09
IUPAC Name(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile
SMILESN#C/C=C(/c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F
InChIInChI=1S/C23H12F4N4O/c24-14-3-1-4-15(25)19(14)13(9-10-28)12-7-8-18-30-23(29)21(31(18)11-12)22(32)20-16(26)5-2-6-17(20)27/h1-9,11H,29H2/b13-9-
InChIKeyCRXBYOWJISXKAI-LCYFTJDESA-N
XLogP4.66
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-(6-fluoro-2-pyridinyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 67140847
N-phenyl-6-(pyrid-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68779277
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
2-(4-Methylphenyl)imidazo(1,2-a)pyridine-3-carbaldehyde
CID 1096449
Naphth(2',3':4,5)imidazo(1,2-a)pyridine-6,11-dione
CID 1530613
3-Formyl-2-phenylimidazo(1,2-a)pyridine
CID 820933

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile (CID 5330642) is (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile is N#C/C=C(/c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F.
What is the InChIKey of (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile?
The InChIKey is CRXBYOWJISXKAI-LCYFTJDESA-N. The full InChI is InChI=1S/C23H12F4N4O/c24-14-3-1-4-15(25)19(14)13(9-10-28)12-7-8-18-30-23(29)21(31(18)11-12)22(32)20-16(26)5-2-6-17(20)27/h1-9,11H,29H2/b13-9-.
What are the key properties of (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile?
(Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile has a molecular weight of 436.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-3-(2,6-difluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 5330642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).