4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one

C25H29N5O4S — CID 53318377

IUPAC4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccnc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H29N5O4S/c31-25-24(34-22-10-4-5-11-22)23(18-27-30(25)21-8-2-1-3-9-21)28-13-15-29(16-14-28)35(32,33)19-20-7-6-12-26-17-20/h1-3,6-9,12,17-18,22H,4-5,10-11,13-16,19H2
InChIKeyCASIUAKMOOLEBE-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.60
Rot. Bonds7

About 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one

4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 53318377) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID53318377
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccnc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C25H29N5O4S/c31-25-24(34-22-10-4-5-11-22)23(18-27-30(25)21-8-2-1-3-9-21)28-13-15-29(16-14-28)35(32,33)19-20-7-6-12-26-17-20/h1-3,6-9,12,17-18,22H,4-5,10-11,13-16,19H2
InChIKeyCASIUAKMOOLEBE-UHFFFAOYSA-N
XLogP2.60
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-4-cyclopentyloxy-5-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 54585687
2-(3-ethylphenyl)-4-(3-methylcyclobutyl)oxy-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-4-ium-1-yl]pyridazin-3-one
CID 163480758
5-[4-[(4-amino-3-methylphenyl)methylsulfanyl]piperazin-1-yl]-4-cyclopentyloxy-2-phenylpyridazin-3-one
CID 118351162
4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 25014606
5-[4-(chloromethylsulfonyl)piperazin-1-yl]-4-cyclopentyloxy-2-(3,5-difluorophenyl)pyridazin-3-one;4-cyclopentyloxy-2-(3,5-difluorophenyl)-5-[4-[(3-methoxy-1,2,4-triazin-5-yl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one;methane;3-methoxy-1,2,4-triazine
CID 158148544
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
5-(4-benzylsulfonylpiperazin-1-yl)-4-chloro-2-(2-octoxyphenyl)pyridazin-3-one;5-(4-benzylsulfonylpiperazin-1-yl)-2-(2-octoxyphenyl)-4-phenylmethoxypyridazin-3-one
CID 158477794
5-(4-benzylsulfonylpiperazin-1-yl)-4,6-bis(2-ethoxyethoxy)-2-phenylpyridazin-3-one
CID 54585683
tert-butyl 4-[1-(3-chlorophenyl)-5-cyclohexyloxy-6-oxopyridazin-4-yl]piperazine-1-carboxylate
CID 66552057
4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one
CID 71066143
5-[4-[(3-aminophenyl)methylsulfonyl]piperazin-1-yl]-2-(3,5-difluorophenyl)-4-(3,3-dimethylbutan-2-yloxy)pyridazin-3-one
CID 25069876

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one (CID 53318377) is 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one is O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccnc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is CASIUAKMOOLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c31-25-24(34-22-10-4-5-11-22)23(18-27-30(25)21-8-2-1-3-9-21)28-13-15-29(16-14-28)35(32,33)19-20-7-6-12-26-17-20/h1-3,6-9,12,17-18,22H,4-5,10-11,13-16,19H2.
What are the key properties of 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one?
4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 495.61 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53318377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).