5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide

C17H15FN4O — CID 155131889

IUPAC5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2)cn1
InChIInChI=1S/C17H15FN4O/c1-19-17(23)13-5-4-10(9-20-13)11-7-15-14(8-12(11)18)21-16-3-2-6-22(15)16/h4-5,7-9H,2-3,6H2,1H3,(H,19,23)
InChIKeyFEHPCZZZFDFFAS-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.54
Rot. Bonds2

About 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide

5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide (PubChem CID 155131889) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide
PubChem CID155131889
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2)cn1
InChIInChI=1S/C17H15FN4O/c1-19-17(23)13-5-4-10(9-20-13)11-7-15-14(8-12(11)18)21-16-3-2-6-22(15)16/h4-5,7-9H,2-3,6H2,1H3,(H,19,23)
InChIKeyFEHPCZZZFDFFAS-UHFFFAOYSA-N
XLogP2.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-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 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide (CID 155131889) is 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2)cn1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is FEHPCZZZFDFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-19-17(23)13-5-4-10(9-20-13)11-7-15-14(8-12(11)18)21-16-3-2-6-22(15)16/h4-5,7-9H,2-3,6H2,1H3,(H,19,23).
What are the key properties of 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide?
5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).