6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C18H18FN5O2 — CID 91937345

IUPAC6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1NC1CCOCC1
InChIInChI=1S/C18H18FN5O2/c19-13-5-11(7-21-8-13)12-6-16-17(23-14-1-3-26-4-2-14)15(18(20)25)9-22-24(16)10-12/h5-10,14,23H,1-4H2,(H2,20,25)
InChIKeyUVNSYSNXKVIMAN-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.23
Rot. Bonds4

About 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937345) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937345
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1NC1CCOCC1
InChIInChI=1S/C18H18FN5O2/c19-13-5-11(7-21-8-13)12-6-16-17(23-14-1-3-26-4-2-14)15(18(20)25)9-22-24(16)10-12/h5-10,14,23H,1-4H2,(H2,20,25)
InChIKeyUVNSYSNXKVIMAN-UHFFFAOYSA-N
XLogP2.23
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoro-3-pyridinyl)-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-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937345) is 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1NC1CCOCC1.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UVNSYSNXKVIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-13-5-11(7-21-8-13)12-6-16-17(23-14-1-3-26-4-2-14)15(18(20)25)9-22-24(16)10-12/h5-10,14,23H,1-4H2,(H2,20,25).
What are the key properties of 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).