5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide

C24H19Cl2FN4O2 — CID 170633492

IUPAC5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
SMILESO=C(NCC(F)c1ccc(Cl)cc1Cl)c1c(Oc2cccc(C3CC3)c2)cnn2nccc12
InChIInChI=1S/C24H19Cl2FN4O2/c25-16-6-7-18(19(26)11-16)20(27)12-28-24(32)23-21-8-9-29-31(21)30-13-22(23)33-17-3-1-2-15(10-17)14-4-5-14/h1-3,6-11,13-14,20H,4-5,12H2,(H,28,32)
InChIKeyOJTOBRGPQYFGRT-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.15
Rot. Bonds7

About 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide

5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide (PubChem CID 170633492) has the molecular formula C24H19Cl2FN4O2 and a molecular weight of 485.35 g/mol. Its IUPAC name is 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide.

Molecular Properties

Compound Name5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
PubChem CID170633492
Molecular FormulaC24H19Cl2FN4O2
Molecular Weight485.35 g/mol
Exact Mass484.09
IUPAC Name5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
SMILESO=C(NCC(F)c1ccc(Cl)cc1Cl)c1c(Oc2cccc(C3CC3)c2)cnn2nccc12
InChIInChI=1S/C24H19Cl2FN4O2/c25-16-6-7-18(19(26)11-16)20(27)12-28-24(32)23-21-8-9-29-31(21)30-13-22(23)33-17-3-1-2-15(10-17)14-4-5-14/h1-3,6-11,13-14,20H,4-5,12H2,(H,28,32)
InChIKeyOJTOBRGPQYFGRT-UHFFFAOYSA-N
XLogP6.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide?
The IUPAC name of 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide (CID 170633492) is 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide.
What is the SMILES notation for 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide?
The canonical SMILES for 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide is O=C(NCC(F)c1ccc(Cl)cc1Cl)c1c(Oc2cccc(C3CC3)c2)cnn2nccc12.
What is the InChIKey of 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide?
The InChIKey is OJTOBRGPQYFGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN4O2/c25-16-6-7-18(19(26)11-16)20(27)12-28-24(32)23-21-8-9-29-31(21)30-13-22(23)33-17-3-1-2-15(10-17)14-4-5-14/h1-3,6-11,13-14,20H,4-5,12H2,(H,28,32).
What are the key properties of 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide?
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide has a molecular weight of 485.35 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide is sourced from PubChem (CID 170633492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).