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

C21H22N8O — CID 171717340

IUPACN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide
SMILESCc1cn2nc(NC(=O)c3cccc4c(N5CCNCC5)cnnc34)cc(C)c2n1
InChIInChI=1S/C21H22N8O/c1-13-10-18(27-29-12-14(2)24-20(13)29)25-21(30)16-5-3-4-15-17(11-23-26-19(15)16)28-8-6-22-7-9-28/h3-5,10-12,22H,6-9H2,1-2H3,(H,25,27,30)
InChIKeyIKKYUCHRHWFSMU-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.95
Rot. Bonds3

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

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide (PubChem CID 171717340) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide
PubChem CID171717340
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide
SMILESCc1cn2nc(NC(=O)c3cccc4c(N5CCNCC5)cnnc34)cc(C)c2n1
InChIInChI=1S/C21H22N8O/c1-13-10-18(27-29-12-14(2)24-20(13)29)25-21(30)16-5-3-4-15-17(11-23-26-19(15)16)28-8-6-22-7-9-28/h3-5,10-12,22H,6-9H2,1-2H3,(H,25,27,30)
InChIKeyIKKYUCHRHWFSMU-UHFFFAOYSA-N
XLogP1.95
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide
CID 163417083
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166558395
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206
tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
CID 166522143
2,8-dimethyl-N-(6-piperazin-1-yl-1H-indazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
CID 176566898
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501050
N-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2-methyl-7-piperazin-1-ylindazole-4-carboxamide
CID 170380616
2-amino-5-(4-cyano-1,4-azaborinan-1-yl)-N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 156888213
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501120
3-methyl-2-nitro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494185

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide (CID 171717340) is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide is Cc1cn2nc(NC(=O)c3cccc4c(N5CCNCC5)cnnc34)cc(C)c2n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide?
The InChIKey is IKKYUCHRHWFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-13-10-18(27-29-12-14(2)24-20(13)29)25-21(30)16-5-3-4-15-17(11-23-26-19(15)16)28-8-6-22-7-9-28/h3-5,10-12,22H,6-9H2,1-2H3,(H,25,27,30).
What are the key properties of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide?
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide is sourced from PubChem (CID 171717340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).