3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

C16H12N6O — CID 118863059

IUPAC3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESN#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)cn1
InChIInChI=1S/C16H12N6O/c17-8-12-4-3-10(9-18-12)15-14(16(23)20-11-5-6-11)21-13-2-1-7-19-22(13)15/h1-4,7,9,11H,5-6H2,(H,20,23)
InChIKeyYDADFGXXCHDXFC-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.56
Rot. Bonds3

About 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118863059) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118863059
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESN#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)cn1
InChIInChI=1S/C16H12N6O/c17-8-12-4-3-10(9-18-12)15-14(16(23)20-11-5-6-11)21-13-2-1-7-19-22(13)15/h1-4,7,9,11H,5-6H2,(H,20,23)
InChIKeyYDADFGXXCHDXFC-UHFFFAOYSA-N
XLogP1.56
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-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 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (CID 118863059) is 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is N#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)cn1.
What is the InChIKey of 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is YDADFGXXCHDXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c17-8-12-4-3-10(9-18-12)15-14(16(23)20-11-5-6-11)21-13-2-1-7-19-22(13)15/h1-4,7,9,11H,5-6H2,(H,20,23).
What are the key properties of 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118863059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).