N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

C30H20F2N6O3 — CID 59159935

IUPACN-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESCn1ncc2cc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c(-c3ccncc3)cc21
InChIInChI=1S/C30H20F2N6O3/c1-37-26-16-24(18-8-11-33-12-9-18)28(14-19(26)17-35-37)41-27-7-4-21(15-25(27)32)36-29(39)23-10-13-34-38(30(23)40)22-5-2-20(31)3-6-22/h2-17H,1H3,(H,36,39)
InChIKeyYAONMHPAAVIOMM-UHFFFAOYSA-N
MW550.53 g/mol
LogP5.50
Rot. Bonds6

About N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 59159935) has the molecular formula C30H20F2N6O3 and a molecular weight of 550.53 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
PubChem CID59159935
Molecular FormulaC30H20F2N6O3
Molecular Weight550.53 g/mol
Exact Mass550.16
IUPAC NameN-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESCn1ncc2cc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c(-c3ccncc3)cc21
InChIInChI=1S/C30H20F2N6O3/c1-37-26-16-24(18-8-11-33-12-9-18)28(14-19(26)17-35-37)41-27-7-4-21(15-25(27)32)36-29(39)23-10-13-34-38(30(23)40)22-5-2-20(31)3-6-22/h2-17H,1H3,(H,36,39)
InChIKeyYAONMHPAAVIOMM-UHFFFAOYSA-N
XLogP5.50
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (CID 59159935) is N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is Cn1ncc2cc(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cc3F)c(-c3ccncc3)cc21.
What is the InChIKey of N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is YAONMHPAAVIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6O3/c1-37-26-16-24(18-8-11-33-12-9-18)28(14-19(26)17-35-37)41-27-7-4-21(15-25(27)32)36-29(39)23-10-13-34-38(30(23)40)22-5-2-20(31)3-6-22/h2-17H,1H3,(H,36,39).
What are the key properties of N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 550.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-methyl-6-pyridin-4-ylindazol-5-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 59159935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).