6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one

C23H24N6O3 — CID 122246547

IUPAC6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C23H24N6O3/c1-32-19-15-21(30)29(17-7-3-2-4-8-17)26-22(19)23(31)28-12-10-27(11-13-28)20-14-16-6-5-9-18(16)24-25-20/h2-4,7-8,14-15H,5-6,9-13H2,1H3
InChIKeyGJKJNIKAPTYGCG-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.48
Rot. Bonds4

About 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one

6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (PubChem CID 122246547) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
PubChem CID122246547
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C23H24N6O3/c1-32-19-15-21(30)29(17-7-3-2-4-8-17)26-22(19)23(31)28-12-10-27(11-13-28)20-14-16-6-5-9-18(16)24-25-20/h2-4,7-8,14-15H,5-6,9-13H2,1H3
InChIKeyGJKJNIKAPTYGCG-UHFFFAOYSA-N
XLogP1.48
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one with MolForge

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Related Compounds

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 122281039
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
(5-chloro-2-methoxyphenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281038
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 122281267
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121023219

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (CID 122246547) is 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one is COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The InChIKey is GJKJNIKAPTYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-32-19-15-21(30)29(17-7-3-2-4-8-17)26-22(19)23(31)28-12-10-27(11-13-28)20-14-16-6-5-9-18(16)24-25-20/h2-4,7-8,14-15H,5-6,9-13H2,1H3.
What are the key properties of 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one has a molecular weight of 432.48 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 122246547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).