5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide

C28H24F2N4O4 — CID 162772136

IUPAC5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5occc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N4O4/c1-33-13-20-18(3-2-4-25(20)32-33)16-11-23(29)21(24(30)12-16)14-34-15-22(26-19(28(34)36)7-10-38-26)27(35)31-17-5-8-37-9-6-17/h2-4,7,10-13,15,17H,5-6,8-9,14H2,1H3,(H,31,35)
InChIKeyIQBVGHITMQJQDA-UHFFFAOYSA-N
MW518.52 g/mol
LogP4.38
Rot. Bonds5

About 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 162772136) has the molecular formula C28H24F2N4O4 and a molecular weight of 518.52 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
PubChem CID162772136
Molecular FormulaC28H24F2N4O4
Molecular Weight518.52 g/mol
Exact Mass518.18
IUPAC Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5occc5c4=O)c(F)c3)cccc2n1
InChIInChI=1S/C28H24F2N4O4/c1-33-13-20-18(3-2-4-25(20)32-33)16-11-23(29)21(24(30)12-16)14-34-15-22(26-19(28(34)36)7-10-38-26)27(35)31-17-5-8-37-9-6-17/h2-4,7,10-13,15,17H,5-6,8-9,14H2,1H3,(H,31,35)
InChIKeyIQBVGHITMQJQDA-UHFFFAOYSA-N
XLogP4.38
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
CID 162772274
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
CID 162772213
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772141
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
CID 118266817
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
3-(2,4-difluorophenyl)-N-(4-hydroxycyclohexyl)-1-methylpyrazole-4-carboxamide
CID 111137730
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
2-(oxan-4-ylcarbamoyl)-6-phenylbenzoic acid
CID 123160028
2-fluoro-4-[3-methyl-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 138532170

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide (CID 162772136) is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide is Cn1cc2c(-c3cc(F)c(Cn4cc(C(=O)NC5CCOCC5)c5occc5c4=O)c(F)c3)cccc2n1.
What is the InChIKey of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is IQBVGHITMQJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4O4/c1-33-13-20-18(3-2-4-25(20)32-33)16-11-23(29)21(24(30)12-16)14-34-15-22(26-19(28(34)36)7-10-38-26)27(35)31-17-5-8-37-9-6-17/h2-4,7,10-13,15,17H,5-6,8-9,14H2,1H3,(H,31,35).
What are the key properties of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide?
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 518.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 162772136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).