6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C19H19FN4O2 — CID 91937344

IUPAC6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC1CCOCC1
InChIInChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)13-9-17-18(23-15-5-7-26-8-6-15)16(19(21)25)10-22-24(17)11-13/h1-4,9-11,15,23H,5-8H2,(H2,21,25)
InChIKeyWWKHQJLJEIGJSG-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.83
Rot. Bonds4

About 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937344) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937344
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC1CCOCC1
InChIInChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)13-9-17-18(23-15-5-7-26-8-6-15)16(19(21)25)10-22-24(17)11-13/h1-4,9-11,15,23H,5-8H2,(H2,21,25)
InChIKeyWWKHQJLJEIGJSG-UHFFFAOYSA-N
XLogP2.83
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937344) is 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3ccc(F)cc3)cc2c1NC1CCOCC1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WWKHQJLJEIGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)13-9-17-18(23-15-5-7-26-8-6-15)16(19(21)25)10-22-24(17)11-13/h1-4,9-11,15,23H,5-8H2,(H2,21,25).
What are the key properties of 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).