5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C23H19FN8O2 — CID 121249812

IUPAC5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C6CC6)n5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C23H19FN8O2/c1-32-11-15(10-27-32)19-28-18-16(6-7-25-20(18)29-19)13-4-5-14(17(24)8-13)9-26-22(33)21-30-23(34-31-21)12-2-3-12/h4-8,10-12H,2-3,9H2,1H3,(H,26,33)(H,25,28,29)
InChIKeyLVGNVGPYJSRULV-UHFFFAOYSA-N
MW458.46 g/mol
LogP3.35
Rot. Bonds6

About 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249812) has the molecular formula C23H19FN8O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249812
Molecular FormulaC23H19FN8O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C6CC6)n5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C23H19FN8O2/c1-32-11-15(10-27-32)19-28-18-16(6-7-25-20(18)29-19)13-4-5-14(17(24)8-13)9-26-22(33)21-30-23(34-31-21)12-2-3-12/h4-8,10-12H,2-3,9H2,1H3,(H,26,33)(H,25,28,29)
InChIKeyLVGNVGPYJSRULV-UHFFFAOYSA-N
XLogP3.35
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249812) is 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C6CC6)n5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LVGNVGPYJSRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O2/c1-32-11-15(10-27-32)19-28-18-16(6-7-25-20(18)29-19)13-4-5-14(17(24)8-13)9-26-22(33)21-30-23(34-31-21)12-2-3-12/h4-8,10-12H,2-3,9H2,1H3,(H,26,33)(H,25,28,29).
What are the key properties of 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).