1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine

C17H16F3N3 — CID 163362321

IUPAC1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cnc3c(c2)N(CC2CC2)CN3)c1
InChIInChI=1S/C17H16F3N3/c18-17(19,20)14-3-1-2-12(6-14)13-7-15-16(21-8-13)22-10-23(15)9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,21,22)
InChIKeyXXQWAZRCLIWQNA-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.37
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine

1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine (PubChem CID 163362321) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
PubChem CID163362321
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cccc(-c2cnc3c(c2)N(CC2CC2)CN3)c1
InChIInChI=1S/C17H16F3N3/c18-17(19,20)14-3-1-2-12(6-14)13-7-15-16(21-8-13)22-10-23(15)9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,21,22)
InChIKeyXXQWAZRCLIWQNA-UHFFFAOYSA-N
XLogP4.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
CID 163362316
1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 152646605
4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine
CID 22464134
1-(oxan-2-ylmethyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 158230572
2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol
CID 155001383
6-[3-(trifluoromethyl)phenyl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159946622
ethane;5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 145084771
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
N,N,3-trimethyl-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 134417261
1-(2-cyclopropyl-2-hydroxyethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493690
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine (CID 163362321) is 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine is FC(F)(F)c1cccc(-c2cnc3c(c2)N(CC2CC2)CN3)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The InChIKey is XXQWAZRCLIWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c18-17(19,20)14-3-1-2-12(6-14)13-7-15-16(21-8-13)22-10-23(15)9-11-4-5-11/h1-3,6-8,11H,4-5,9-10H2,(H,21,22).
What are the key properties of 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine has a molecular weight of 319.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 163362321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).