2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C21H30N6O — CID 126914549

IUPAC2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cnn4c3CCCC4)CC1)CCC2
InChIInChI=1S/C21H30N6O/c28-21-14-17-4-3-5-19(17)23-27(21)13-12-24-8-10-25(11-9-24)16-18-15-22-26-7-2-1-6-20(18)26/h14-15H,1-13,16H2
InChIKeyFKJOZICFPJIMDA-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.08
Rot. Bonds5

About 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914549) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914549
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cnn4c3CCCC4)CC1)CCC2
InChIInChI=1S/C21H30N6O/c28-21-14-17-4-3-5-19(17)23-27(21)13-12-24-8-10-25(11-9-24)16-18-15-22-26-7-2-1-6-20(18)26/h14-15H,1-13,16H2
InChIKeyFKJOZICFPJIMDA-UHFFFAOYSA-N
XLogP1.08
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914546
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915341
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924431
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928275
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126916457
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915041
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914596
2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915022
4-[[4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 126914888
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914549) is 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCN(Cc3cnn4c3CCCC4)CC1)CCC2.
What is the InChIKey of 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is FKJOZICFPJIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c28-21-14-17-4-3-5-19(17)23-27(21)13-12-24-8-10-25(11-9-24)16-18-15-22-26-7-2-1-6-20(18)26/h14-15H,1-13,16H2.
What are the key properties of 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 382.51 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).