7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine

C13H9F3N4 — CID 79294067

IUPAC7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H9F3N4/c1-6-2-3-18-12-11(6)19-13(17)20(12)10-5-8(15)7(14)4-9(10)16/h2-5H,1H3,(H2,17,19)
InChIKeyHYTCPZQULTUVTF-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.73
Rot. Bonds1

About 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine

7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79294067) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79294067
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H9F3N4/c1-6-2-3-18-12-11(6)19-13(17)20(12)10-5-8(15)7(14)4-9(10)16/h2-5H,1H3,(H2,17,19)
InChIKeyHYTCPZQULTUVTF-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 82820195
3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 104724625
3-(3,5-dichlorophenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288307
3-(2-methoxyphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288235
3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 102854339
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79293783
7-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288016
3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288453
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288094
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 79294067) is 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2-c1cc(F)c(F)cc1F.
What is the InChIKey of 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HYTCPZQULTUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-6-2-3-18-12-11(6)19-13(17)20(12)10-5-8(15)7(14)4-9(10)16/h2-5H,1H3,(H2,17,19).
What are the key properties of 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 278.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).