N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide

C17H16N8O — CID 59313977

IUPACN-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)n1
InChIInChI=1S/C17H16N8O/c1-10(26)20-14-3-2-4-15(22-14)23-16-7-13(21-11-5-6-11)17-19-9-12(8-18)25(17)24-16/h2-4,7,9,11,21H,5-6H2,1H3,(H2,20,22,23,24,26)
InChIKeyOPSDYXRDOBXITL-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.27
Rot. Bonds5

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

N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide (PubChem CID 59313977) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
PubChem CID59313977
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)n1
InChIInChI=1S/C17H16N8O/c1-10(26)20-14-3-2-4-15(22-14)23-16-7-13(21-11-5-6-11)17-19-9-12(8-18)25(17)24-16/h2-4,7,9,11,21H,5-6H2,1H3,(H2,20,22,23,24,26)
InChIKeyOPSDYXRDOBXITL-UHFFFAOYSA-N
XLogP2.27
TPSA120.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide with MolForge

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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
3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
CID 67358031
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
methyl N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2,4-difluorophenyl]carbamate
CID 59313830
N-[6-[[3-cyano-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazin-8-yl]amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 162390659
6-(5-cyano-2-methoxyanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313726
2-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-1,3-thiazole-5-carbonitrile
CID 59314051
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
CID 143973962
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide (CID 59313977) is N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)n1.
What is the InChIKey of N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is OPSDYXRDOBXITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-10(26)20-14-3-2-4-15(22-14)23-16-7-13(21-11-5-6-11)17-19-9-12(8-18)25(17)24-16/h2-4,7,9,11,21H,5-6H2,1H3,(H2,20,22,23,24,26).
What are the key properties of N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide?
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 59313977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).