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

C32H26F2N6O4 — CID 149276766

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C32H26F2N6O4/c1-18(2)43-30-11-9-24(32(42)40(30)23-7-4-21(33)5-8-23)31(41)38-22-6-10-28(26(34)13-22)44-29-12-19-17-37-39(3)27(19)14-25(29)20-15-35-36-16-20/h4-18H,1-3H3,(H,35,36)(H,38,41)
InChIKeyXSDZOIYDMHIIAQ-UHFFFAOYSA-N
MW596.59 g/mol
LogP6.22
Rot. Bonds8

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 149276766) has the molecular formula C32H26F2N6O4 and a molecular weight of 596.59 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-oxo-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID149276766
Molecular FormulaC32H26F2N6O4
Molecular Weight596.59 g/mol
Exact Mass596.20
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C32H26F2N6O4/c1-18(2)43-30-11-9-24(32(42)40(30)23-7-4-21(33)5-8-23)31(41)38-22-6-10-28(26(34)13-22)44-29-12-19-17-37-39(3)27(19)14-25(29)20-15-35-36-16-20/h4-18H,1-3H3,(H,35,36)(H,38,41)
InChIKeyXSDZOIYDMHIIAQ-UHFFFAOYSA-N
XLogP6.22
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.59
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-oxo-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide (CID 149276766) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-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)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(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-oxo-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is XSDZOIYDMHIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N6O4/c1-18(2)43-30-11-9-24(32(42)40(30)23-7-4-21(33)5-8-23)31(41)38-22-6-10-28(26(34)13-22)44-29-12-19-17-37-39(3)27(19)14-25(29)20-15-35-36-16-20/h4-18H,1-3H3,(H,35,36)(H,38,41).
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-oxo-6-propan-2-yloxypyridine-3-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 596.59 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-oxo-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 149276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).