(2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone

C48H60N10O6S2 — CID 91589627

About (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone

(2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 91589627) has the molecular formula C48H60N10O6S2 and a molecular weight of 937.21 g/mol. Its IUPAC name is (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 91589627
• Molecular Formula: C48H60N10O6S2
• Molecular Weight: 937.21 g/mol
• Exact Mass: 936.41
• IUPAC Name: (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
• SMILES: CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C3CCCC3)C2)CC1
• InChI: InChI=1S/C26H33N5O3S.C22H27N5O3S/c1-19-8-12-28(13-9-19)26(32)20-6-7-24-22(16-20)23-17-29(21-4-2-3-5-21)14-10-25(23)31(24)35(33,34)30-15-11-27-18-30;1-16-5-10-25(11-6-16)22(28)17-3-4-20-18(13-17)19-14-24(2)9-7-21(19)27(20)31(29,30)26-12-8-23-15-26/h6-7,11,15-16,18-19,21H,2-5,8-10,12-14,17H2,1H3;3-4,8,12-13,15-16H,5-7,9-11,14H2,1-2H3
• InChIKey: QIKTXFBBLAEBIW-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 160.88 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.21
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone (CID 91589627) is (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C3CCCC3)C2)CC1.

What is the InChIKey of (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone?

The InChIKey is QIKTXFBBLAEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S.C22H27N5O3S/c1-19-8-12-28(13-9-19)26(32)20-6-7-24-22(16-20)23-17-29(21-4-2-3-5-21)14-10-25(23)31(24)35(33,34)30-15-11-27-18-30;1-16-5-10-25(11-6-16)22(28)17-3-4-20-18(13-17)19-14-24(2)9-7-21(19)27(20)31(29,30)26-12-8-23-15-26/h6-7,11,15-16,18-19,21H,2-5,8-10,12-14,17H2,1H3;3-4,8,12-13,15-16H,5-7,9-11,14H2,1-2H3.

What are the key properties of (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone?

(2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 937.21 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91589627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).