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

C30H19F2N5O3 — CID 59159902

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cn[nH]c3cc2-c2cccnc2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H19F2N5O3/c31-20-5-8-22(9-6-20)37-12-2-4-23(30(37)39)29(38)35-21-7-10-27(25(32)14-21)40-28-13-19-17-34-36-26(19)15-24(28)18-3-1-11-33-16-18/h1-17H,(H,34,36)(H,35,38)
InChIKeyJCVRPGFQYICFTJ-UHFFFAOYSA-N
MW535.51 g/mol
LogP6.10
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 59159902) has the molecular formula C30H19F2N5O3 and a molecular weight of 535.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID59159902
Molecular FormulaC30H19F2N5O3
Molecular Weight535.51 g/mol
Exact Mass535.15
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cn[nH]c3cc2-c2cccnc2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H19F2N5O3/c31-20-5-8-22(9-6-20)37-12-2-4-23(30(37)39)29(38)35-21-7-10-27(25(32)14-21)40-28-13-19-17-34-36-26(19)15-24(28)18-3-1-11-33-16-18/h1-17H,(H,34,36)(H,35,38)
InChIKeyJCVRPGFQYICFTJ-UHFFFAOYSA-N
XLogP6.10
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.51
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide (CID 59159902) is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc3cn[nH]c3cc2-c2cccnc2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is JCVRPGFQYICFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F2N5O3/c31-20-5-8-22(9-6-20)37-12-2-4-23(30(37)39)29(38)35-21-7-10-27(25(32)14-21)40-28-13-19-17-34-36-26(19)15-24(28)18-3-1-11-33-16-18/h1-17H,(H,34,36)(H,35,38).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 535.51 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).