N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C28H20F2N4O3 — CID 59159913

IUPACN-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cn[nH]c3cc2C2CC2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H20F2N4O3/c29-18-5-8-20(9-6-18)34-11-1-2-21(28(34)36)27(35)32-19-7-10-25(23(30)13-19)37-26-12-17-15-31-33-24(17)14-22(26)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,33)(H,32,35)
InChIKeyLPRTYTPOWJPYOM-UHFFFAOYSA-N
MW498.49 g/mol
LogP5.91
Rot. Bonds6

About N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 59159913) has the molecular formula C28H20F2N4O3 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID59159913
Molecular FormulaC28H20F2N4O3
Molecular Weight498.49 g/mol
Exact Mass498.15
IUPAC NameN-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cn[nH]c3cc2C2CC2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H20F2N4O3/c29-18-5-8-20(9-6-18)34-11-1-2-21(28(34)36)27(35)32-19-7-10-25(23(30)13-19)37-26-12-17-15-31-33-24(17)14-22(26)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,33)(H,32,35)
InChIKeyLPRTYTPOWJPYOM-UHFFFAOYSA-N
XLogP5.91
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.49
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 59159913) is N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc3cn[nH]c3cc2C2CC2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is LPRTYTPOWJPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N4O3/c29-18-5-8-20(9-6-18)34-11-1-2-21(28(34)36)27(35)32-19-7-10-25(23(30)13-19)37-26-12-17-15-31-33-24(17)14-22(26)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,33)(H,32,35).
What are the key properties of N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 498.49 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyclopropyl-1H-indazol-5-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).