2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide

C24H17F2N5O2 — CID 71767340

IUPAC2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
SMILESCONC(=O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C24H17F2N5O2/c1-33-30-24(32)22-17(25)10-16(11-18(22)26)20-6-7-21-23(29-20)31(13-28-21)12-14-4-5-19-15(9-14)3-2-8-27-19/h2-11,13H,12H2,1H3,(H,30,32)
InChIKeyFDHFMWQPKRKYBH-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.26
Rot. Bonds5

About 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide

2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 71767340) has the molecular formula C24H17F2N5O2 and a molecular weight of 445.43 g/mol. Its IUPAC name is 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
PubChem CID71767340
Molecular FormulaC24H17F2N5O2
Molecular Weight445.43 g/mol
Exact Mass445.14
IUPAC Name2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
SMILESCONC(=O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C24H17F2N5O2/c1-33-30-24(32)22-17(25)10-16(11-18(22)26)20-6-7-21-23(29-20)31(13-28-21)12-14-4-5-19-15(9-14)3-2-8-27-19/h2-11,13H,12H2,1H3,(H,30,32)
InChIKeyFDHFMWQPKRKYBH-UHFFFAOYSA-N
XLogP4.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514895
2-chloro-N-[3-(dimethylamino)propyl]-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
CID 71767481
(4S)-4-hydroxy-1-[2-iodo-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]pentan-1-one
CID 163935648
2-chloro-4-[3-(1-quinolin-6-ylethyl)triazolo[4,5-b]pyridin-5-yl]benzamide;2-chloro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
CID 162051583
6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
CID 143480962
6-(imidazo[4,5-b]pyridin-3-ylmethyl)-2-phenylquinoline
CID 154308926
2-fluoro-4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]benzamide
CID 123641836
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 143480942
N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide
CID 162489857
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
3-[2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]anilino]-2-methylpropanoic acid
CID 135353726

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide (CID 71767340) is 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide is CONC(=O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F.
What is the InChIKey of 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is FDHFMWQPKRKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2/c1-33-30-24(32)22-17(25)10-16(11-18(22)26)20-6-7-21-23(29-20)31(13-28-21)12-14-4-5-19-15(9-14)3-2-8-27-19/h2-11,13H,12H2,1H3,(H,30,32).
What are the key properties of 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide?
2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 445.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methoxy-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 71767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).