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

C30H22F2N6O3 — CID 59159939

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2N6O3/c1-17-9-24(30(40)38(16-17)22-6-3-20(31)4-7-22)29(39)36-21-5-8-27(25(32)11-21)41-28-10-18-15-35-37(2)26(18)12-23(28)19-13-33-34-14-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChIKeyVAGUGTGCEUGISH-UHFFFAOYSA-N
MW552.54 g/mol
LogP5.75
Rot. Bonds6

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 59159939) has the molecular formula C30H22F2N6O3 and a molecular weight of 552.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID59159939
Molecular FormulaC30H22F2N6O3
Molecular Weight552.54 g/mol
Exact Mass552.17
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2N6O3/c1-17-9-24(30(40)38(16-17)22-6-3-20(31)4-7-22)29(39)36-21-5-8-27(25(32)11-21)41-28-10-18-15-35-37(2)26(18)12-23(28)19-13-33-34-14-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChIKeyVAGUGTGCEUGISH-UHFFFAOYSA-N
XLogP5.75
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.54
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (CID 59159939) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VAGUGTGCEUGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N6O3/c1-17-9-24(30(40)38(16-17)22-6-3-20(31)4-7-22)29(39)36-21-5-8-27(25(32)11-21)41-28-10-18-15-35-37(2)26(18)12-23(28)19-13-33-34-14-19/h3-16H,1-2H3,(H,33,34)(H,36,39).
What are the key properties of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).