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

C21H18F4N4O — CID 90409328

IUPAC[1-(5-fluoro-2-pyridinyl)-4-methyl-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)C2C)cccc1C(F)(F)F
InChIInChI=1S/C21H18F4N4O/c1-12-15(4-3-5-16(12)21(23,24)25)20(30)28-9-8-17-19(13(28)2)27-11-29(17)18-7-6-14(22)10-26-18/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyLVTJEYIMEVVAMN-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.49
Rot. Bonds2

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

[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 90409328) has the molecular formula C21H18F4N4O and a molecular weight of 418.39 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)-4-methyl-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)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
PubChem CID90409328
Molecular FormulaC21H18F4N4O
Molecular Weight418.39 g/mol
Exact Mass418.14
IUPAC Name[1-(5-fluoro-2-pyridinyl)-4-methyl-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)C2C)cccc1C(F)(F)F
InChIInChI=1S/C21H18F4N4O/c1-12-15(4-3-5-16(12)21(23,24)25)20(30)28-9-8-17-19(13(28)2)27-11-29(17)18-7-6-14(22)10-26-18/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyLVTJEYIMEVVAMN-UHFFFAOYSA-N
XLogP4.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(5-fluoro-2-pyridinyl)-4-methyl-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)-4-methyl-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)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (CID 90409328) is [1-(5-fluoro-2-pyridinyl)-4-methyl-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)-4-methyl-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)-4-methyl-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)C2C)cccc1C(F)(F)F.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LVTJEYIMEVVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O/c1-12-15(4-3-5-16(12)21(23,24)25)20(30)28-9-8-17-19(13(28)2)27-11-29(17)18-7-6-14(22)10-26-18/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of [1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 418.39 g/mol, XLogP of 4.49, 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)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90409328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).