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

C24H20FN7O2 — CID 121261467

IUPAC2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cnc(C6CC6)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C24H20FN7O2/c1-32-12-16(10-29-32)21-30-20-17(6-7-26-22(20)31-21)14-4-5-15(18(25)8-14)9-27-23(33)19-11-28-24(34-19)13-2-3-13/h4-8,10-13H,2-3,9H2,1H3,(H,27,33)(H,26,30,31)
InChIKeyUOFRFMVPYKXNKW-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.96
Rot. Bonds6

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

2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 121261467) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID121261467
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cnc(C6CC6)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C24H20FN7O2/c1-32-12-16(10-29-32)21-30-20-17(6-7-26-22(20)31-21)14-4-5-15(18(25)8-14)9-27-23(33)19-11-28-24(34-19)13-2-3-13/h4-8,10-13H,2-3,9H2,1H3,(H,27,33)(H,26,30,31)
InChIKeyUOFRFMVPYKXNKW-UHFFFAOYSA-N
XLogP3.96
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11098041, Example 165
CID 121249989
4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53466716
Gyrase inhibitor Redx04739
CID 121304735
US11098041, Example 135
CID 121249674
US11098041, Example 122
CID 121249693
US11098041, Example 111
CID 121249712
US11098041, Example 126
CID 121249778
US11098041, Example 59
CID 121249812
US11098041, Example 120
CID 121249826
US11098041, Example 24
CID 121249839
US11098041, Example 139
CID 121249869
US11098041, Example 141
CID 121249935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide (CID 121261467) is 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cnc(C6CC6)o5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is UOFRFMVPYKXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-32-12-16(10-29-32)21-30-20-17(6-7-26-22(20)31-21)14-4-5-15(18(25)8-14)9-27-23(33)19-11-28-24(34-19)13-2-3-13/h4-8,10-13H,2-3,9H2,1H3,(H,27,33)(H,26,30,31).
What are the key properties of 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?
2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 121261467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).