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

C31H21F2N5O3 — CID 59159911

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C31H21F2N5O3/c1-18-4-10-24(31(40)38(18)23-8-5-21(32)6-9-23)30(39)36-22-7-11-28(26(33)14-22)41-29-13-20-17-35-37-27(20)15-25(29)19-3-2-12-34-16-19/h2-17H,1H3,(H,35,37)(H,36,39)
InChIKeyFVTKGHOSENNZDF-UHFFFAOYSA-N
MW549.54 g/mol
LogP6.41
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 59159911) has the molecular formula C31H21F2N5O3 and a molecular weight of 549.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID59159911
Molecular FormulaC31H21F2N5O3
Molecular Weight549.54 g/mol
Exact Mass549.16
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C31H21F2N5O3/c1-18-4-10-24(31(40)38(18)23-8-5-21(32)6-9-23)30(39)36-22-7-11-28(26(33)14-22)41-29-13-20-17-35-37-27(20)15-25(29)19-3-2-12-34-16-19/h2-17H,1H3,(H,35,37)(H,36,39)
InChIKeyFVTKGHOSENNZDF-UHFFFAOYSA-N
XLogP6.41
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.54
LogP ≤ 56.41
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]-6-methyl-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]-6-methyl-2-oxopyridine-3-carboxamide (CID 59159911) is 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-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]-6-methyl-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]-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3cccnc3)c(F)c2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FVTKGHOSENNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F2N5O3/c1-18-4-10-24(31(40)38(18)23-8-5-21(32)6-9-23)30(39)36-22-7-11-28(26(33)14-22)41-29-13-20-17-35-37-27(20)15-25(29)19-3-2-12-34-16-19/h2-17H,1H3,(H,35,37)(H,36,39).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-[(6-pyridin-3-yl-1H-indazol-5-yl)oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 549.54 g/mol, XLogP of 6.41, 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]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).