3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine

C16H15N7O2S — CID 67358031

IUPAC3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
SMILESN#Cc1cnc2c(NC3CC3)cc(Nc3cccc(NS(=O)O)c3)nn12
InChIInChI=1S/C16H15N7O2S/c17-8-13-9-18-16-14(19-10-4-5-10)7-15(21-23(13)16)20-11-2-1-3-12(6-11)22-26(24)25/h1-3,6-7,9-10,19,22H,4-5H2,(H,20,21)(H,24,25)
InChIKeyBXULETRRZPVPSQ-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.47
Rot. Bonds6

About 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine

3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine (PubChem CID 67358031) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
PubChem CID67358031
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
SMILESN#Cc1cnc2c(NC3CC3)cc(Nc3cccc(NS(=O)O)c3)nn12
InChIInChI=1S/C16H15N7O2S/c17-8-13-9-18-16-14(19-10-4-5-10)7-15(21-23(13)16)20-11-2-1-3-12(6-11)22-26(24)25/h1-3,6-7,9-10,19,22H,4-5H2,(H,20,21)(H,24,25)
InChIKeyBXULETRRZPVPSQ-UHFFFAOYSA-N
XLogP2.47
TPSA127.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
CID 143973962
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
8-(cyclopropylamino)-6-[4-(4-methylpiperazin-1-yl)-3-(1,2,4-triazol-4-yl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313716
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
2-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-5-carbonitrile
CID 59314051
8-(cyclopropylamino)-6-[3-(1,2,4-triazol-1-yl)-4-(trifluoromethoxy)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313981

Frequently Asked Questions

What is the IUPAC name of 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine (CID 67358031) is 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine is N#Cc1cnc2c(NC3CC3)cc(Nc3cccc(NS(=O)O)c3)nn12.
What is the InChIKey of 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine?
The InChIKey is BXULETRRZPVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c17-8-13-9-18-16-14(19-10-4-5-10)7-15(21-23(13)16)20-11-2-1-3-12(6-11)22-26(24)25/h1-3,6-7,9-10,19,22H,4-5H2,(H,20,21)(H,24,25).
What are the key properties of 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine?
3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine has a molecular weight of 369.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).