(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone

C24H33N3O3S — CID 24901353

IUPAC(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2
InChIInChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
InChIKeyHNKJMZFHXMPYMT-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.97
Rot. Bonds4

About (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone

(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 24901353) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID24901353
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2
InChIInChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
InChIKeyHNKJMZFHXMPYMT-UHFFFAOYSA-N
XLogP3.97
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone (CID 24901353) is (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone is CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2.
What is the InChIKey of (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HNKJMZFHXMPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3.
What are the key properties of (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone?
(2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 443.61 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-4-ethylsulfonyl-1,3-dihydropyrrolo[3,4-b]indol-7-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24901353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).