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

C30H22F2N6O4 — CID 147870506

IUPACN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C30H22F2N6O4/c1-37-25-13-23(18-14-33-34-15-18)27(11-17(25)16-35-37)42-26-9-5-20(12-24(26)32)36-29(39)22-8-10-28(41-2)38(30(22)40)21-6-3-19(31)4-7-21/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChIKeyHYNGNWCMHJYQRN-UHFFFAOYSA-N
MW568.54 g/mol
LogP5.45
Rot. Bonds7

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

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carboxamide (PubChem CID 147870506) has the molecular formula C30H22F2N6O4 and a molecular weight of 568.54 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-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)-6-methoxy-2-oxopyridine-3-carboxamide
PubChem CID147870506
Molecular FormulaC30H22F2N6O4
Molecular Weight568.54 g/mol
Exact Mass568.17
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C30H22F2N6O4/c1-37-25-13-23(18-14-33-34-15-18)27(11-17(25)16-35-37)42-26-9-5-20(12-24(26)32)36-29(39)22-8-10-28(41-2)38(30(22)40)21-6-3-19(31)4-7-21/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChIKeyHYNGNWCMHJYQRN-UHFFFAOYSA-N
XLogP5.45
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.54
LogP ≤ 55.45
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)-6-methoxy-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)-6-methoxy-2-oxopyridine-3-carboxamide (CID 147870506) is N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-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)-6-methoxy-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)-6-methoxy-2-oxopyridine-3-carboxamide is COc1ccc(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)-6-methoxy-2-oxopyridine-3-carboxamide?
The InChIKey is HYNGNWCMHJYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N6O4/c1-37-25-13-23(18-14-33-34-15-18)27(11-17(25)16-35-37)42-26-9-5-20(12-24(26)32)36-29(39)22-8-10-28(41-2)38(30(22)40)21-6-3-19(31)4-7-21/h3-16H,1-2H3,(H,33,34)(H,36,39).
What are the key properties of N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carboxamide has a molecular weight of 568.54 g/mol, XLogP of 5.45, 7 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)-6-methoxy-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 147870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).