N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid

C32H29FN6O6S — CID 89297714

IUPACN-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(C)c(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cc2)c(=O)[nH]1
InChIInChI=1S/C31H25FN6O3.CH4O3S/c1-18-12-19(2)36-30(39)29(18)31(40)38(23-6-4-22(32)5-7-23)24-8-10-25(11-9-24)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21;1-5(2,3)4/h4-17H,1-3H3,(H,33,34)(H,36,39);1H3,(H,2,3,4)
InChIKeyNWOASEHAYKZOIR-UHFFFAOYSA-N
MW644.69 g/mol
LogP5.68
Rot. Bonds6

About N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid

N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid (PubChem CID 89297714) has the molecular formula C32H29FN6O6S and a molecular weight of 644.69 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid
PubChem CID89297714
Molecular FormulaC32H29FN6O6S
Molecular Weight644.69 g/mol
Exact Mass644.19
IUPAC NameN-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(C)c(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cc2)c(=O)[nH]1
InChIInChI=1S/C31H25FN6O3.CH4O3S/c1-18-12-19(2)36-30(39)29(18)31(40)38(23-6-4-22(32)5-7-23)24-8-10-25(11-9-24)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21;1-5(2,3)4/h4-17H,1-3H3,(H,33,34)(H,36,39);1H3,(H,2,3,4)
InChIKeyNWOASEHAYKZOIR-UHFFFAOYSA-N
XLogP5.68
TPSA163.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.69
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid?
The IUPAC name of N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid (CID 89297714) is N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid.
What is the SMILES notation for N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid?
The canonical SMILES for N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Cc1cc(C)c(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cc2)c(=O)[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid?
The InChIKey is NWOASEHAYKZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN6O3.CH4O3S/c1-18-12-19(2)36-30(39)29(18)31(40)38(23-6-4-22(32)5-7-23)24-8-10-25(11-9-24)41-28-13-20-17-35-37(3)27(20)14-26(28)21-15-33-34-16-21;1-5(2,3)4/h4-17H,1-3H3,(H,33,34)(H,36,39);1H3,(H,2,3,4).
What are the key properties of N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid?
N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid has a molecular weight of 644.69 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid is sourced from PubChem (CID 89297714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).