3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine

C14H12F2N4 — CID 122445539

IUPAC3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine
SMILESCNc1nc2cccnc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N4/c1-17-14-19-12-3-2-6-18-13(12)20(14)8-9-4-5-10(15)11(16)7-9/h2-7H,8H2,1H3,(H,17,19)
InChIKeyHEVIIBKTHJRKEY-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.80
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine

3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 122445539) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID122445539
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine
SMILESCNc1nc2cccnc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N4/c1-17-14-19-12-3-2-6-18-13(12)20(14)8-9-4-5-10(15)11(16)7-9/h2-7H,8H2,1H3,(H,17,19)
InChIKeyHEVIIBKTHJRKEY-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485125
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 174235385
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 122445707
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
2-[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11674088
3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
CID 19829965

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine (CID 122445539) is 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine is CNc1nc2cccnc2n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HEVIIBKTHJRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-17-14-19-12-3-2-6-18-13(12)20(14)8-9-4-5-10(15)11(16)7-9/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine?
3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 122445539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).