1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C25H19F2N5O3 — CID 46194994

IUPAC1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnn4cccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C25H19F2N5O3/c1-15-23(25(34)32(30(15)2)18-8-5-16(26)6-9-18)24(33)29-17-7-10-21(19(27)14-17)35-22-11-12-28-31-13-3-4-20(22)31/h3-14H,1-2H3,(H,29,33)
InChIKeyYQDWZKRCTFQLKZ-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 46194994) has the molecular formula C25H19F2N5O3 and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
PubChem CID46194994
Molecular FormulaC25H19F2N5O3
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC Name1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnn4cccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C25H19F2N5O3/c1-15-23(25(34)32(30(15)2)18-8-5-16(26)6-9-18)24(33)29-17-7-10-21(19(27)14-17)35-22-11-12-28-31-13-3-4-20(22)31/h3-14H,1-2H3,(H,29,33)
InChIKeyYQDWZKRCTFQLKZ-UHFFFAOYSA-N
XLogP4.45
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 46194994) is 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnn4cccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The InChIKey is YQDWZKRCTFQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3/c1-15-23(25(34)32(30(15)2)18-8-5-16(26)6-9-18)24(33)29-17-7-10-21(19(27)14-17)35-22-11-12-28-31-13-3-4-20(22)31/h3-14H,1-2H3,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 46194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).