6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide

C23H15F3N6O — CID 134362647

IUPAC6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(N)c3F)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C23H15F3N6O/c1-10-31-20-13(23(28)33)8-11(12-4-6-30-22(27)19(12)26)9-17(20)32(10)16-5-7-29-21-15(25)3-2-14(24)18(16)21/h2-9H,1H3,(H2,27,30)(H2,28,33)
InChIKeyXRJPXIBCBJEYHE-UHFFFAOYSA-N
MW448.41 g/mol
LogP4.04
Rot. Bonds3

About 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide

6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide (PubChem CID 134362647) has the molecular formula C23H15F3N6O and a molecular weight of 448.41 g/mol. Its IUPAC name is 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
PubChem CID134362647
Molecular FormulaC23H15F3N6O
Molecular Weight448.41 g/mol
Exact Mass448.13
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(N)c3F)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C23H15F3N6O/c1-10-31-20-13(23(28)33)8-11(12-4-6-30-22(27)19(12)26)9-17(20)32(10)16-5-7-29-21-15(25)3-2-14(24)18(16)21/h2-9H,1H3,(H2,27,30)(H2,28,33)
InChIKeyXRJPXIBCBJEYHE-UHFFFAOYSA-N
XLogP4.04
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-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-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide (CID 134362647) is 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(-c3ccnc(N)c3F)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The InChIKey is XRJPXIBCBJEYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O/c1-10-31-20-13(23(28)33)8-11(12-4-6-30-22(27)19(12)26)9-17(20)32(10)16-5-7-29-21-15(25)3-2-14(24)18(16)21/h2-9H,1H3,(H2,27,30)(H2,28,33).
What are the key properties of 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-fluoro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134362647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).