4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C28H26F2N4O3 — CID 59233774

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C28H26F2N4O3/c1-15-13-21(37-4)20(26(35)32-28(2)10-11-28)14-19(15)18-9-12-34-25(23(18)30)22(27(36)31-3)24(33-34)16-5-7-17(29)8-6-16/h5-9,12-14H,10-11H2,1-4H3,(H,31,36)(H,32,35)
InChIKeyNOVNVHQYOISKCC-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.91
Rot. Bonds6

About 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233774) has the molecular formula C28H26F2N4O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233774
Molecular FormulaC28H26F2N4O3
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C28H26F2N4O3/c1-15-13-21(37-4)20(26(35)32-28(2)10-11-28)14-19(15)18-9-12-34-25(23(18)30)22(27(36)31-3)24(33-34)16-5-7-17(29)8-6-16/h5-9,12-14H,10-11H2,1-4H3,(H,31,36)(H,32,35)
InChIKeyNOVNVHQYOISKCC-UHFFFAOYSA-N
XLogP4.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233774) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C)CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NOVNVHQYOISKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c1-15-13-21(37-4)20(26(35)32-28(2)10-11-28)14-19(15)18-9-12-34-25(23(18)30)22(27(36)31-3)24(33-34)16-5-7-17(29)8-6-16/h5-9,12-14H,10-11H2,1-4H3,(H,31,36)(H,32,35).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).