3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

C16H13FN6O — CID 141285251

IUPAC3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOc1cc2nc(-c3cc(-c4cn[nH]c4)cnc3N)[nH]c2cc1F
InChIInChI=1S/C16H13FN6O/c1-24-14-4-13-12(3-11(14)17)22-16(23-13)10-2-8(5-19-15(10)18)9-6-20-21-7-9/h2-7H,1H3,(H2,18,19)(H,20,21)(H,22,23)
InChIKeyGTZLIJXOLXBNEU-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.74
Rot. Bonds3

About 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 141285251) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID141285251
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOc1cc2nc(-c3cc(-c4cn[nH]c4)cnc3N)[nH]c2cc1F
InChIInChI=1S/C16H13FN6O/c1-24-14-4-13-12(3-11(14)17)22-16(23-13)10-2-8(5-19-15(10)18)9-6-20-21-7-9/h2-7H,1H3,(H2,18,19)(H,20,21)(H,22,23)
InChIKeyGTZLIJXOLXBNEU-UHFFFAOYSA-N
XLogP2.74
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine 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-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 141285251) is 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is COc1cc2nc(-c3cc(-c4cn[nH]c4)cnc3N)[nH]c2cc1F.
What is the InChIKey of 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is GTZLIJXOLXBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-24-14-4-13-12(3-11(14)17)22-16(23-13)10-2-8(5-19-15(10)18)9-6-20-21-7-9/h2-7H,1H3,(H2,18,19)(H,20,21)(H,22,23).
What are the key properties of 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 324.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 141285251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).