[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone

C23H39N5O2 — CID 153420693

IUPAC[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCC5NCCN5N4)CC3)CC2)CCC1
InChIInChI=1S/C23H39N5O2/c1-23(9-2-10-23)22(30)27-15-13-26(14-16-27)21(29)18-5-3-17(4-6-18)19-7-8-20-24-11-12-28(20)25-19/h17-20,24-25H,2-16H2,1H3
InChIKeyTUVANKBDOXLZAZ-UHFFFAOYSA-N
MW417.60 g/mol
LogP1.55
Rot. Bonds3

About [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone

[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone (PubChem CID 153420693) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
PubChem CID153420693
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCC5NCCN5N4)CC3)CC2)CCC1
InChIInChI=1S/C23H39N5O2/c1-23(9-2-10-23)22(30)27-15-13-26(14-16-27)21(29)18-5-3-17(4-6-18)19-7-8-20-24-11-12-28(20)25-19/h17-20,24-25H,2-16H2,1H3
InChIKeyTUVANKBDOXLZAZ-UHFFFAOYSA-N
XLogP1.55
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420589
N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
CID 153420716
[4-(7-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420654
N-methyl-N-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
CID 153420812
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217
[4-[1-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindazol-5-yl]cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420738
[4-(methylamino)piperidin-1-yl]-(1-methylcyclobutyl)methanone
CID 119561901
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(2-methylidene-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)cyclohexyl]methanone
CID 153420588
1-[(2S)-6-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140684968
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone (CID 153420693) is [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone is CC1(C(=O)N2CCN(C(=O)C3CCC(C4CCC5NCCN5N4)CC3)CC2)CCC1.
What is the InChIKey of [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is TUVANKBDOXLZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-23(9-2-10-23)22(30)27-15-13-26(14-16-27)21(29)18-5-3-17(4-6-18)19-7-8-20-24-11-12-28(20)25-19/h17-20,24-25H,2-16H2,1H3.
What are the key properties of [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone?
[4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 417.60 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-b]pyridazin-6-yl)cyclohexyl]-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 153420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).