2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine

C14H11F3N4 — CID 66867376

IUPAC2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESCc1ccc(-c2nc3ncc(N)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c1-7-2-3-8(4-10(7)14(15,16)17)12-20-11-5-9(18)6-19-13(11)21-12/h2-6H,18H2,1H3,(H,19,20,21)
InChIKeyTXSGFQIOMCQAFC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.53
Rot. Bonds1

About 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine

2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine (PubChem CID 66867376) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
PubChem CID66867376
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine
SMILESCc1ccc(-c2nc3ncc(N)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c1-7-2-3-8(4-10(7)14(15,16)17)12-20-11-5-9(18)6-19-13(11)21-12/h2-6H,18H2,1H3,(H,19,20,21)
InChIKeyTXSGFQIOMCQAFC-UHFFFAOYSA-N
XLogP3.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzylaminopurine
CID 62389
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
PF-4708671
CID 51371303
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Rolodine
CID 5359646
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
FR-79620
CID 10421577
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine (CID 66867376) is 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine is Cc1ccc(-c2nc3ncc(N)cc3[nH]2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
The InChIKey is TXSGFQIOMCQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-7-2-3-8(4-10(7)14(15,16)17)12-20-11-5-9(18)6-19-13(11)21-12/h2-6H,18H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine?
2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine has a molecular weight of 292.26 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 66867376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).