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

C25H26N4O — CID 122281267

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C25H26N4O/c30-25(24(19-8-3-1-4-9-19)20-10-5-2-6-11-20)29-16-14-28(15-17-29)23-18-21-12-7-13-22(21)26-27-23/h1-6,8-11,18,24H,7,12-17H2
InChIKeyAPAGIJCFPRJGDD-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.45
Rot. Bonds4

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

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 122281267) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID122281267
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C25H26N4O/c30-25(24(19-8-3-1-4-9-19)20-10-5-2-6-11-20)29-16-14-28(15-17-29)23-18-21-12-7-13-22(21)26-27-23/h1-6,8-11,18,24H,7,12-17H2
InChIKeyAPAGIJCFPRJGDD-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone (CID 122281267) is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is APAGIJCFPRJGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(24(19-8-3-1-4-9-19)20-10-5-2-6-11-20)29-16-14-28(15-17-29)23-18-21-12-7-13-22(21)26-27-23/h1-6,8-11,18,24H,7,12-17H2.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 398.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 122281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).