3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one

C21H23N7O — CID 137373916

IUPAC3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCc1c(-c2ccc3nc(C)cn3n2)nc2cnc(C3CCNCC3)cn2c1=O
InChIInChI=1S/C21H23N7O/c1-3-15-20(16-4-5-18-24-13(2)11-28(18)26-16)25-19-10-23-17(12-27(19)21(15)29)14-6-8-22-9-7-14/h4-5,10-12,14,22H,3,6-9H2,1-2H3
InChIKeyJXPKLSOQYIYMDI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.14
Rot. Bonds3

About 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one

3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 137373916) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID137373916
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCc1c(-c2ccc3nc(C)cn3n2)nc2cnc(C3CCNCC3)cn2c1=O
InChIInChI=1S/C21H23N7O/c1-3-15-20(16-4-5-18-24-13(2)11-28(18)26-16)25-19-10-23-17(12-27(19)21(15)29)14-6-8-22-9-7-14/h4-5,10-12,14,22H,3,6-9H2,1-2H3
InChIKeyJXPKLSOQYIYMDI-UHFFFAOYSA-N
XLogP2.14
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 118207230
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
3-(1-ethylpiperidin-4-yl)-5-fluoro-7-(2-methylimidazo[1,2-b]pyridazin-6-yl)cinnoline;dihydrochloride
CID 146585439
4-(1-ethyl-4-methylimidazol-2-yl)piperidine
CID 82463366
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one
CID 121309818
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167588651
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349
3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine
CID 141405870

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one (CID 137373916) is 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one is CCc1c(-c2ccc3nc(C)cn3n2)nc2cnc(C3CCNCC3)cn2c1=O.
What is the InChIKey of 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is JXPKLSOQYIYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-15-20(16-4-5-18-24-13(2)11-28(18)26-16)25-19-10-23-17(12-27(19)21(15)29)14-6-8-22-9-7-14/h4-5,10-12,14,22H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one?
3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).