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

C31H25FN6O3 — CID 59159915

IUPAC1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)cc1
InChIInChI=1S/C31H25FN6O3/c1-18-12-19(2)38(24-8-4-22(32)5-9-24)31(40)29(18)30(39)36-23-6-10-25(11-7-23)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21/h4-17H,1-3H3,(H,33,34)(H,36,39)
InChIKeyQNPJESUOARYRCO-UHFFFAOYSA-N
MW548.58 g/mol
LogP5.91
Rot. Bonds6

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

1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 59159915) has the molecular formula C31H25FN6O3 and a molecular weight of 548.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID59159915
Molecular FormulaC31H25FN6O3
Molecular Weight548.58 g/mol
Exact Mass548.20
IUPAC Name1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)cc1
InChIInChI=1S/C31H25FN6O3/c1-18-12-19(2)38(24-8-4-22(32)5-9-24)31(40)29(18)30(39)36-23-6-10-25(11-7-23)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21/h4-17H,1-3H3,(H,33,34)(H,36,39)
InChIKeyQNPJESUOARYRCO-UHFFFAOYSA-N
XLogP5.91
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.58
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 59159915) is 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QNPJESUOARYRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN6O3/c1-18-12-19(2)38(24-8-4-22(32)5-9-24)31(40)29(18)30(39)36-23-6-10-25(11-7-23)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21/h4-17H,1-3H3,(H,33,34)(H,36,39).
What are the key properties of 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 548.58 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).