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

C31H24F2N6O3 — CID 59159901

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C31H24F2N6O3/c1-17-10-18(2)39(23-7-4-21(32)5-8-23)31(41)29(17)30(40)37-22-6-9-27(25(33)12-22)42-28-11-19-16-36-38(3)26(19)13-24(28)20-14-34-35-15-20/h4-16H,1-3H3,(H,34,35)(H,37,40)
InChIKeyCQDWKIBKUFYYJA-UHFFFAOYSA-N
MW566.57 g/mol
LogP6.05
Rot. Bonds6

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 59159901) has the molecular formula C31H24F2N6O3 and a molecular weight of 566.57 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-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)-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID59159901
Molecular FormulaC31H24F2N6O3
Molecular Weight566.57 g/mol
Exact Mass566.19
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C31H24F2N6O3/c1-17-10-18(2)39(23-7-4-21(32)5-8-23)31(41)29(17)30(40)37-22-6-9-27(25(33)12-22)42-28-11-19-16-36-38(3)26(19)13-24(28)20-14-34-35-15-20/h4-16H,1-3H3,(H,34,35)(H,37,40)
InChIKeyCQDWKIBKUFYYJA-UHFFFAOYSA-N
XLogP6.05
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 56.05
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)-4,6-dimethyl-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)-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 59159901) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-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)-4,6-dimethyl-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)-4,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is CQDWKIBKUFYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N6O3/c1-17-10-18(2)39(23-7-4-21(32)5-8-23)31(41)29(17)30(40)37-22-6-9-27(25(33)12-22)42-28-11-19-16-36-38(3)26(19)13-24(28)20-14-34-35-15-20/h4-16H,1-3H3,(H,34,35)(H,37,40).
What are the key properties of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 566.57 g/mol, XLogP of 6.05, 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)-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).