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

C30H25FN4O2 — CID 121249832

IUPAC4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6)cc5)c(F)c4)c3[nH]2)cc1
InChIInChI=1S/C30H25FN4O2/c1-37-24-12-10-20(11-13-24)28-34-27-25(14-15-32-29(27)35-28)22-8-9-23(26(31)16-22)17-33-30(36)21-6-4-19(5-7-21)18-2-3-18/h4-16,18H,2-3,17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyVZHTYUSWFXZGIS-UHFFFAOYSA-N
MW492.55 g/mol
LogP6.25
Rot. Bonds7

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

4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide (PubChem CID 121249832) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
PubChem CID121249832
Molecular FormulaC30H25FN4O2
Molecular Weight492.55 g/mol
Exact Mass492.20
IUPAC Name4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6)cc5)c(F)c4)c3[nH]2)cc1
InChIInChI=1S/C30H25FN4O2/c1-37-24-12-10-20(11-13-24)28-34-27-25(14-15-32-29(27)35-28)22-8-9-23(26(31)16-22)17-33-30(36)21-6-4-19(5-7-21)18-2-3-18/h4-16,18H,2-3,17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyVZHTYUSWFXZGIS-UHFFFAOYSA-N
XLogP6.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide (CID 121249832) is 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide is COc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6)cc5)c(F)c4)c3[nH]2)cc1.
What is the InChIKey of 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The InChIKey is VZHTYUSWFXZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c1-37-24-12-10-20(11-13-24)28-34-27-25(14-15-32-29(27)35-28)22-8-9-23(26(31)16-22)17-33-30(36)21-6-4-19(5-7-21)18-2-3-18/h4-16,18H,2-3,17H2,1H3,(H,33,36)(H,32,34,35).
What are the key properties of 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide has a molecular weight of 492.55 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[2-fluoro-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 121249832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).