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

C30H24F2N6O3 — CID 78225502

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide
SMILESCC1C=CC(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C30H24F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-17,23H,1-2H3,(H,33,34)(H,36,39)
InChIKeyHZDJZVYWXQOLQU-UHFFFAOYSA-N
MW554.56 g/mol
LogP5.58
Rot. Bonds6

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide (PubChem CID 78225502) has the molecular formula C30H24F2N6O3 and a molecular weight of 554.56 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide
PubChem CID78225502
Molecular FormulaC30H24F2N6O3
Molecular Weight554.56 g/mol
Exact Mass554.19
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide
SMILESCC1C=CC(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C30H24F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-17,23H,1-2H3,(H,33,34)(H,36,39)
InChIKeyHZDJZVYWXQOLQU-UHFFFAOYSA-N
XLogP5.58
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.56
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide (CID 78225502) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-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)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide is CC1C=CC(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide?
The InChIKey is HZDJZVYWXQOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-17,23H,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)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide has a molecular weight of 554.56 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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)-2-methyl-6-oxo-2,5-dihydropyridine-5-carboxamide is sourced from PubChem (CID 78225502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).