[2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone

C48H60N10O6S2 — CID 162257966

About [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone

[2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 162257966) has the molecular formula C48H60N10O6S2 and a molecular weight of 937.21 g/mol. Its IUPAC name is [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 162257966
• Molecular Formula: C48H60N10O6S2
• Molecular Weight: 937.21 g/mol
• Exact Mass: 936.41
• IUPAC Name: [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
• SMILES: CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3cn(C)cn3)CCN(C3CCC3)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3cn(C)cn3)CCNC2)CC1
• InChI: InChI=1S/C26H33N5O3S.C22H27N5O3S/c1-18-8-11-29(12-9-18)26(32)19-6-7-23-21(14-19)22-15-30(20-4-3-5-20)13-10-24(22)31(23)35(33,34)25-16-28(2)17-27-25;1-15-6-9-26(10-7-15)22(28)16-3-4-19-17(11-16)18-12-23-8-5-20(18)27(19)31(29,30)21-13-25(2)14-24-21/h6-7,14,16-18,20H,3-5,8-13,15H2,1-2H3;3-4,11,13-15,23H,5-10,12H2,1-2H3
• InChIKey: ZYVSCPYXXRAVDA-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 169.67 Ų
• H-Bond Donors: 1
• 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	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone (CID 162257966) is [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3cn(C)cn3)CCN(C3CCC3)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3cn(C)cn3)CCNC2)CC1.

What is the InChIKey of [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone?

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

What are the key properties of [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone?

[2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 937.21 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-cyclobutyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 162257966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).