[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone

C20H16F4N4O — CID 90409637

IUPAC[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)C2)cccc1C(F)(F)F
InChIInChI=1S/C20H16F4N4O/c1-12-14(3-2-4-15(12)20(22,23)24)19(29)27-8-7-17-16(10-27)26-11-28(17)18-6-5-13(21)9-25-18/h2-6,9,11H,7-8,10H2,1H3
InChIKeyRNLGUFPYLWSHIV-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.93
Rot. Bonds2

About [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone

[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 90409637) has the molecular formula C20H16F4N4O and a molecular weight of 404.37 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
PubChem CID90409637
Molecular FormulaC20H16F4N4O
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)C2)cccc1C(F)(F)F
InChIInChI=1S/C20H16F4N4O/c1-12-14(3-2-4-15(12)20(22,23)24)19(29)27-8-7-17-16(10-27)26-11-28(17)18-6-5-13(21)9-25-18/h2-6,9,11H,7-8,10H2,1H3
InChIKeyRNLGUFPYLWSHIV-UHFFFAOYSA-N
XLogP3.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone 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 [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (CID 90409637) is [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is Cc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)C2)cccc1C(F)(F)F.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RNLGUFPYLWSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O/c1-12-14(3-2-4-15(12)20(22,23)24)19(29)27-8-7-17-16(10-27)26-11-28(17)18-6-5-13(21)9-25-18/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 404.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90409637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).