4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one

C24H35N5O3S — CID 71066143

IUPAC4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one
SMILESCC(C)S(=O)N1CCN(c2cnn(-c3cccc(N(C)C)c3)c(=O)c2OC2CCCC2)CC1
InChIInChI=1S/C24H35N5O3S/c1-18(2)33(31)28-14-12-27(13-15-28)22-17-25-29(20-9-7-8-19(16-20)26(3)4)24(30)23(22)32-21-10-5-6-11-21/h7-9,16-18,21H,5-6,10-15H2,1-4H3
InChIKeyCCKRYLYOSNZMKF-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.81
Rot. Bonds7

About 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one

4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one (PubChem CID 71066143) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one
PubChem CID71066143
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one
SMILESCC(C)S(=O)N1CCN(c2cnn(-c3cccc(N(C)C)c3)c(=O)c2OC2CCCC2)CC1
InChIInChI=1S/C24H35N5O3S/c1-18(2)33(31)28-14-12-27(13-15-28)22-17-25-29(20-9-7-8-19(16-20)26(3)4)24(30)23(22)32-21-10-5-6-11-21/h7-9,16-18,21H,5-6,10-15H2,1-4H3
InChIKeyCCKRYLYOSNZMKF-UHFFFAOYSA-N
XLogP2.81
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one (CID 71066143) is 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one is CC(C)S(=O)N1CCN(c2cnn(-c3cccc(N(C)C)c3)c(=O)c2OC2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is CCKRYLYOSNZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-18(2)33(31)28-14-12-27(13-15-28)22-17-25-29(20-9-7-8-19(16-20)26(3)4)24(30)23(22)32-21-10-5-6-11-21/h7-9,16-18,21H,5-6,10-15H2,1-4H3.
What are the key properties of 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one?
4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 473.64 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-[3-(dimethylamino)phenyl]-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 71066143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).