1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one

C26H31ClN6O5S2 — CID 139898094

About 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one

1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 139898094) has the molecular formula C26H31ClN6O5S2 and a molecular weight of 607.16 g/mol. Its IUPAC name is 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one
• PubChem CID: 139898094
• Molecular Formula: C26H31ClN6O5S2
• Molecular Weight: 607.16 g/mol
• Exact Mass: 606.15
• IUPAC Name: 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one
• SMILES: CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCN3CC(O)CC3=O)sc2C1
• InChI: InChI=1S/C26H31ClN6O5S2/c1-30-6-5-21-22(15-30)39-25(29-21)26(36)33-9-8-32(13-18(33)4-7-31-14-19(34)12-24(31)35)40(37,38)23-11-16-10-17(27)2-3-20(16)28-23/h2-3,10-11,18-19,28,34H,4-9,12-15H2,1H3
• InChIKey: BVLYXFBTAKBLGV-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 130.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.16
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one?

The IUPAC name of 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one (CID 139898094) is 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one.

What is the SMILES notation for 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one?

The canonical SMILES for 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCN3CC(O)CC3=O)sc2C1.

What is the InChIKey of 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one?

The InChIKey is BVLYXFBTAKBLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O5S2/c1-30-6-5-21-22(15-30)39-25(29-21)26(36)33-9-8-32(13-18(33)4-7-31-14-19(34)12-24(31)35)40(37,38)23-11-16-10-17(27)2-3-20(16)28-23/h2-3,10-11,18-19,28,34H,4-9,12-15H2,1H3.

What are the key properties of 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one?

1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 607.16 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 139898094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).