2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C14H12F2N4 — CID 79820763

IUPAC2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccc(F)c(F)c3)nc2n1
InChIInChI=1S/C14H12F2N4/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)8-3-4-9(15)10(16)7-8/h3-7H,1-2H3,(H,17,18,19)
InChIKeyNOBMXLACCDRVCV-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.97
Rot. Bonds2

About 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79820763) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79820763
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccc(F)c(F)c3)nc2n1
InChIInChI=1S/C14H12F2N4/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)8-3-4-9(15)10(16)7-8/h3-7H,1-2H3,(H,17,18,19)
InChIKeyNOBMXLACCDRVCV-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820975
2-amino-5-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 79815748
2-(4-ethylphenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821611
2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821436
2-(2-chloro-6-fluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821953
2-(3-fluoro-4-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137094
2-(2,5-dimethylphenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821345
2-(5-fluoro-2-pyridinyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 104639118
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113340205
2-(2-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821265
2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816424
2-(2-amino-3-chlorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 107049984

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79820763) is 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(-c3ccc(F)c(F)c3)nc2n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is NOBMXLACCDRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)8-3-4-9(15)10(16)7-8/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 274.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).