5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide

C25H20F2N6O2 — CID 171803712

IUPAC5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)cc1F
InChIInChI=1S/C25H20F2N6O2/c1-33-13-16(12-30-33)23-31-22-18(7-8-28-24(22)32-23)14-3-4-15(20(27)9-14)11-29-25(34)19-10-17(26)5-6-21(19)35-2/h3-10,12-13H,11H2,1-2H3,(H,29,34)(H,28,31,32)
InChIKeyHCSLBVBMPWCAGA-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.24
Rot. Bonds6

About 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide

5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 171803712) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
PubChem CID171803712
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)cc1F
InChIInChI=1S/C25H20F2N6O2/c1-33-13-16(12-30-33)23-31-22-18(7-8-28-24(22)32-23)14-3-4-15(20(27)9-14)11-29-25(34)19-10-17(26)5-6-21(19)35-2/h3-10,12-13H,11H2,1-2H3,(H,29,34)(H,28,31,32)
InChIKeyHCSLBVBMPWCAGA-UHFFFAOYSA-N
XLogP4.24
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803536
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 121249712
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249896
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 121249705
3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
CID 159724382
4-tert-butyl-N-[2-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-2-yl]benzamide
CID 121249938
1-(1,1-dihydroxythian-3-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 121249884
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
CID 166864826
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
CID 149130542
5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 145061613
6-tert-butyl-2-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 121250032
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide (CID 171803712) is 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)cc1F.
What is the InChIKey of 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is HCSLBVBMPWCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c1-33-13-16(12-30-33)23-31-22-18(7-8-28-24(22)32-23)14-3-4-15(20(27)9-14)11-29-25(34)19-10-17(26)5-6-21(19)35-2/h3-10,12-13H,11H2,1-2H3,(H,29,34)(H,28,31,32).
What are the key properties of 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?
5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 474.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 171803712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).