3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C16H14F2N4O — CID 122485125

IUPAC3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESNC(=O)CCc1nc2cccnc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N4O/c17-11-4-3-10(8-12(11)18)9-22-15(6-5-14(19)23)21-13-2-1-7-20-16(13)22/h1-4,7-8H,5-6,9H2,(H2,19,23)
InChIKeyOLMUFIFMCQGPFQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.18
Rot. Bonds5

About 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122485125) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122485125
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESNC(=O)CCc1nc2cccnc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N4O/c17-11-4-3-10(8-12(11)18)9-22-15(6-5-14(19)23)21-13-2-1-7-20-16(13)22/h1-4,7-8H,5-6,9H2,(H2,19,23)
InChIKeyOLMUFIFMCQGPFQ-UHFFFAOYSA-N
XLogP2.18
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.18
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]-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-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-[(dipropylamino)methyl]phenyl]ethyl]propanamide
CID 122485106
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine
CID 122445539
4-[[2-(2-hydroxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117159969
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-[(3S)-3-methylpiperazin-1-yl]phenyl]ethyl]propanamide
CID 122445535
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-(3-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 122445537
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122485125) is 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is OLMUFIFMCQGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-11-4-3-10(8-12(11)18)9-22-15(6-5-14(19)23)21-13-2-1-7-20-16(13)22/h1-4,7-8H,5-6,9H2,(H2,19,23).
What are the key properties of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 316.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122485125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).