N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide

C22H23N7O — CID 163417083

IUPACN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide
SMILESCc1cn2nc(NC(=O)c3cccc4c(C5CCNCC5)cnnc34)cc(C)c2n1
InChIInChI=1S/C22H23N7O/c1-13-10-19(28-29-12-14(2)25-21(13)29)26-22(30)17-5-3-4-16-18(11-24-27-20(16)17)15-6-8-23-9-7-15/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,26,28,30)
InChIKeyAFIGFTYXOCXAGB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.01
Rot. Bonds3

About N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide (PubChem CID 163417083) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide
PubChem CID163417083
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide
SMILESCc1cn2nc(NC(=O)c3cccc4c(C5CCNCC5)cnnc34)cc(C)c2n1
InChIInChI=1S/C22H23N7O/c1-13-10-19(28-29-12-14(2)25-21(13)29)26-22(30)17-5-3-4-16-18(11-24-27-20(16)17)15-6-8-23-9-7-15/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,26,28,30)
InChIKeyAFIGFTYXOCXAGB-UHFFFAOYSA-N
XLogP3.01
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide
CID 171717340
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
CID 168725238
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)cinnoline-8-carboxamide
CID 167500546
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 165126331
5-(2,6-dimethylpiperidin-4-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)cinnoline-8-carboxamide
CID 167500800
2-amino-5-(4-cyano-1,4-azaborinan-1-yl)-N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 156888213
2-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(methyliminomethyl)-4-piperidin-4-ylbenzamide
CID 170380599
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-4H-imidazo[4,5-d][1,3]thiazole
CID 153383702
N,2,8-trimethylimidazo[1,2-b]pyridazin-6-amine
CID 177202448
3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845235
3-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 142492391
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166558395

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide (CID 163417083) is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide is Cc1cn2nc(NC(=O)c3cccc4c(C5CCNCC5)cnnc34)cc(C)c2n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide?
The InChIKey is AFIGFTYXOCXAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-13-10-19(28-29-12-14(2)25-21(13)29)26-22(30)17-5-3-4-16-18(11-24-27-20(16)17)15-6-8-23-9-7-15/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,26,28,30).
What are the key properties of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide?
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide is sourced from PubChem (CID 163417083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).