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

C30H23FN6O3 — CID 44622033

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H23FN6O3/c1-18-8-10-23(30(39)37(18)22-6-4-3-5-7-22)29(38)35-21-9-11-27(25(31)13-21)40-28-12-19-17-34-36(2)26(19)14-24(28)20-15-32-33-16-20/h3-17H,1-2H3,(H,32,33)(H,35,38)
InChIKeyXCPSZMLNENDLKG-UHFFFAOYSA-N
MW534.55 g/mol
LogP5.61
Rot. Bonds6

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 44622033) has the molecular formula C30H23FN6O3 and a molecular weight of 534.55 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID44622033
Molecular FormulaC30H23FN6O3
Molecular Weight534.55 g/mol
Exact Mass534.18
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H23FN6O3/c1-18-8-10-23(30(39)37(18)22-6-4-3-5-7-22)29(38)35-21-9-11-27(25(31)13-21)40-28-12-19-17-34-36(2)26(19)14-24(28)20-15-32-33-16-20/h3-17H,1-2H3,(H,32,33)(H,35,38)
InChIKeyXCPSZMLNENDLKG-UHFFFAOYSA-N
XLogP5.61
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.55
LogP ≤ 55.61
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]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide (CID 44622033) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is XCPSZMLNENDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN6O3/c1-18-8-10-23(30(39)37(18)22-6-4-3-5-7-22)29(38)35-21-9-11-27(25(31)13-21)40-28-12-19-17-34-36(2)26(19)14-24(28)20-15-32-33-16-20/h3-17H,1-2H3,(H,32,33)(H,35,38).
What are the key properties of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 5.61, 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]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44622033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).