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

C45H56N10O6S2 — CID 159701369

About [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-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-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 159701369) has the molecular formula C45H56N10O6S2 and a molecular weight of 897.14 g/mol. Its IUPAC name is [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 159701369
• Molecular Formula: C45H56N10O6S2
• Molecular Weight: 897.14 g/mol
• Exact Mass: 896.38
• IUPAC Name: [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-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)c3cn(C)cn3)CCN(C)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3cn(C)cn3)CCNC2)CC1
• InChI: InChI=1S/C23H29N5O3S.C22H27N5O3S/c1-16-6-10-27(11-7-16)23(29)17-4-5-20-18(12-17)19-13-25(2)9-8-21(19)28(20)32(30,31)22-14-26(3)15-24-22;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/h4-5,12,14-16H,6-11,13H2,1-3H3;3-4,11,13-15,23H,5-10,12H2,1-2H3
• InChIKey: MXQVLYFGPBUENI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 169.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.14
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone (CID 159701369) is [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone.

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

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

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

The InChIKey is MXQVLYFGPBUENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S.C22H27N5O3S/c1-16-6-10-27(11-7-16)23(29)17-4-5-20-18(12-17)19-13-25(2)9-8-21(19)28(20)32(30,31)22-14-26(3)15-24-22;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/h4-5,12,14-16H,6-11,13H2,1-3H3;3-4,11,13-15,23H,5-10,12H2,1-2H3.

What are the key properties of [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-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-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 897.14 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-methylimidazol-4-yl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[2-methyl-5-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 159701369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).