2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine

C25H24FN7 — CID 162204745

IUPAC2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine
SMILESCc1cccc(-c2[nH]c(CN(C)CCc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H24FN7/c1-17-6-5-9-21(29-17)25-24(19-10-11-23-27-16-28-33(23)14-19)30-22(31-25)15-32(2)13-12-18-7-3-4-8-20(18)26/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,31)
InChIKeyZSAQREPFGQFLNL-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.30
Rot. Bonds7

About 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine

2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine (PubChem CID 162204745) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine
PubChem CID162204745
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC Name2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine
SMILESCc1cccc(-c2[nH]c(CN(C)CCc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H24FN7/c1-17-6-5-9-21(29-17)25-24(19-10-11-23-27-16-28-33(23)14-19)30-22(31-25)15-32(2)13-12-18-7-3-4-8-20(18)26/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,31)
InChIKeyZSAQREPFGQFLNL-UHFFFAOYSA-N
XLogP4.30
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 159784208
N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 155582181
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766013
(1S,2R)-1-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 139569290
2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile
CID 155582209
6-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157418310
4-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766469
(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 155582412
1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)phenyl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 156725514
carbon dioxide;(1S)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-phenylethanamine
CID 176547584
2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
CID 54767249
2-(2,6-difluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-pyridin-4-yl-1H-imidazol-2-yl]methyl]ethanamine
CID 162026983

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine (CID 162204745) is 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine is Cc1cccc(-c2[nH]c(CN(C)CCc3ccccc3F)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine?
The InChIKey is ZSAQREPFGQFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c1-17-6-5-9-21(29-17)25-24(19-10-11-23-27-16-28-33(23)14-19)30-22(31-25)15-32(2)13-12-18-7-3-4-8-20(18)26/h3-11,14,16H,12-13,15H2,1-2H3,(H,30,31).
What are the key properties of 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine?
2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine has a molecular weight of 441.51 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 162204745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).