2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C21H28N6O2 — CID 126914734

IUPAC2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1c(N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)nccn1CC1CC1
InChIInChI=1S/C21H28N6O2/c28-19-14-17-2-1-3-18(17)23-27(19)13-10-24-8-11-25(12-9-24)20-21(29)26(7-6-22-20)15-16-4-5-16/h6-7,14,16H,1-5,8-13,15H2
InChIKeyWUUPKLLTFJAWHS-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.52
Rot. Bonds6

About 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914734) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914734
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1c(N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)nccn1CC1CC1
InChIInChI=1S/C21H28N6O2/c28-19-14-17-2-1-3-18(17)23-27(19)13-10-24-8-11-25(12-9-24)20-21(29)26(7-6-22-20)15-16-4-5-16/h6-7,14,16H,1-5,8-13,15H2
InChIKeyWUUPKLLTFJAWHS-UHFFFAOYSA-N
XLogP0.52
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914444
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914452
2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914663
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915113
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042
2-[2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914897
2-[2-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914908
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914683
2-[2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914734) is 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1c(N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)nccn1CC1CC1.
What is the InChIKey of 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is WUUPKLLTFJAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c28-19-14-17-2-1-3-18(17)23-27(19)13-10-24-8-11-25(12-9-24)20-21(29)26(7-6-22-20)15-16-4-5-16/h6-7,14,16H,1-5,8-13,15H2.
What are the key properties of 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 396.50 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).