1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C26H27N5O3 — CID 108729975

IUPAC1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(c4ccc(-c5ccccc5)nn4)CC3)CC2=O)cc1
InChIInChI=1S/C26H27N5O3/c1-34-22-9-7-21(8-10-22)31-18-20(17-25(31)32)26(33)30-15-13-29(14-16-30)24-12-11-23(27-28-24)19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3
InChIKeyFTZBRUHJYLBQFU-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108729975) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID108729975
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(c4ccc(-c5ccccc5)nn4)CC3)CC2=O)cc1
InChIInChI=1S/C26H27N5O3/c1-34-22-9-7-21(8-10-22)31-18-20(17-25(31)32)26(33)30-15-13-29(14-16-30)24-12-11-23(27-28-24)19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3
InChIKeyFTZBRUHJYLBQFU-UHFFFAOYSA-N
XLogP2.85
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 121059780
1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
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1-(4-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741412
1-(4-methoxyphenyl)-4-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336973
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
1-(4-methoxyphenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
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1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 121058652
1-(3-methoxyphenyl)-4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121146028
1-(3,4-dimethylphenyl)-4-[4-(6-methoxypyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 16883409

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 108729975) is 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCN(c4ccc(-c5ccccc5)nn4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FTZBRUHJYLBQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-34-22-9-7-21(8-10-22)31-18-20(17-25(31)32)26(33)30-15-13-29(14-16-30)24-12-11-23(27-28-24)19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 457.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108729975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).