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[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone

C20H24N4O3 — CID 122281039

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)c1OC
InChIInChI=1S/C20H24N4O3/c1-26-17-8-4-6-15(19(17)27-2)20(25)24-11-9-23(10-12-24)18-13-14-5-3-7-16(14)21-22-18/h4,6,8,13H,3,5,7,9-12H2,1-2H3
InChIKeyPLZSBPVCMXSUCR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.94
Rot. Bonds4

About [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone (PubChem CID 122281039) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
PubChem CID122281039
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)c1OC
InChIInChI=1S/C20H24N4O3/c1-26-17-8-4-6-15(19(17)27-2)20(25)24-11-9-23(10-12-24)18-13-14-5-3-7-16(14)21-22-18/h4,6,8,13H,3,5,7,9-12H2,1-2H3
InChIKeyPLZSBPVCMXSUCR-UHFFFAOYSA-N
XLogP1.94
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone (CID 122281039) is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)c1OC.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The InChIKey is PLZSBPVCMXSUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-17-8-4-6-15(19(17)27-2)20(25)24-11-9-23(10-12-24)18-13-14-5-3-7-16(14)21-22-18/h4,6,8,13H,3,5,7,9-12H2,1-2H3.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 122281039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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