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

C19H19FN4O2 — CID 91937350

IUPAC6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccccc3F)cc2c1NC1CCOCC1
InChIInChI=1S/C19H19FN4O2/c20-16-4-2-1-3-14(16)12-9-17-18(23-13-5-7-26-8-6-13)15(19(21)25)10-22-24(17)11-12/h1-4,9-11,13,23H,5-8H2,(H2,21,25)
InChIKeyGOYOSENLNOKZEA-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.83
Rot. Bonds4

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

6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937350) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937350
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccccc3F)cc2c1NC1CCOCC1
InChIInChI=1S/C19H19FN4O2/c20-16-4-2-1-3-14(16)12-9-17-18(23-13-5-7-26-8-6-13)15(19(21)25)10-22-24(17)11-12/h1-4,9-11,13,23H,5-8H2,(H2,21,25)
InChIKeyGOYOSENLNOKZEA-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937350) is 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3ccccc3F)cc2c1NC1CCOCC1.
What is the InChIKey of 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GOYOSENLNOKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-4-2-1-3-14(16)12-9-17-18(23-13-5-7-26-8-6-13)15(19(21)25)10-22-24(17)11-12/h1-4,9-11,13,23H,5-8H2,(H2,21,25).
What are the key properties of 6-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(2-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-(2-fluorophenyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).