N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide

C17H16FN7OS — CID 143973962

IUPACN-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
SMILESCS(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)ccc1F
InChIInChI=1S/C17H16FN7OS/c1-27(26)24-14-6-11(4-5-13(14)18)22-16-7-15(21-10-2-3-10)17-20-9-12(8-19)25(17)23-16/h4-7,9-10,21,24H,2-3H2,1H3,(H,22,23)
InChIKeyIWAJEYBSUMYBML-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.76
Rot. Bonds6

About N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide

N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide (PubChem CID 143973962) has the molecular formula C17H16FN7OS and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide.

Molecular Properties

Compound NameN-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
PubChem CID143973962
Molecular FormulaC17H16FN7OS
Molecular Weight385.43 g/mol
Exact Mass385.11
IUPAC NameN-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
SMILESCS(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)ccc1F
InChIInChI=1S/C17H16FN7OS/c1-27(26)24-14-6-11(4-5-13(14)18)22-16-7-15(21-10-2-3-10)17-20-9-12(8-19)25(17)23-16/h4-7,9-10,21,24H,2-3H2,1H3,(H,22,23)
InChIKeyIWAJEYBSUMYBML-UHFFFAOYSA-N
XLogP2.76
TPSA107.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
CID 67358031
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968
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
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
6-(5-cyano-2-methylanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313875
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
methyl N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2,4-difluorophenyl]carbamate
CID 59313830
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
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-5-methoxyphenyl]cyanamide
CID 59314034
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 N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide?
The IUPAC name of N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide (CID 143973962) is N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide.
What is the SMILES notation for N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide?
The canonical SMILES for N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide is CS(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)ccc1F.
What is the InChIKey of N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide?
The InChIKey is IWAJEYBSUMYBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7OS/c1-27(26)24-14-6-11(4-5-13(14)18)22-16-7-15(21-10-2-3-10)17-20-9-12(8-19)25(17)23-16/h4-7,9-10,21,24H,2-3H2,1H3,(H,22,23).
What are the key properties of N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide?
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide has a molecular weight of 385.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide is sourced from PubChem (CID 143973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).