[4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone

C36H42N6O8P2S2 — CID 147641628

About [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone

[4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone (PubChem CID 147641628) has the molecular formula C36H42N6O8P2S2 and a molecular weight of 812.85 g/mol. Its IUPAC name is [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone
• PubChem CID: 147641628
• Molecular Formula: C36H42N6O8P2S2
• Molecular Weight: 812.85 g/mol
• Exact Mass: 812.20
• IUPAC Name: [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone
• SMILES: COP(=O)(CN1CCc2nc(C(=O)N3CCc4c(-c5cccc6c5CCN6C(=O)c5nc6c(s5)CN(CP(=O)(OC)OC)CC6)cccc43)sc2C1)OC
• InChI: InChI=1S/C36H42N6O8P2S2/c1-47-51(45,48-2)21-39-15-13-27-31(19-39)53-33(37-27)35(43)41-17-11-25-23(7-5-9-29(25)41)24-8-6-10-30-26(24)12-18-42(30)36(44)34-38-28-14-16-40(20-32(28)54-34)22-52(46,49-3)50-4/h5-10H,11-22H2,1-4H3
• InChIKey: GHSNHUOXIZYBCX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 143.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	812.85
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?

The IUPAC name of [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone (CID 147641628) is [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone.

What is the SMILES notation for [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?

The canonical SMILES for [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone is COP(=O)(CN1CCc2nc(C(=O)N3CCc4c(-c5cccc6c5CCN6C(=O)c5nc6c(s5)CN(CP(=O)(OC)OC)CC6)cccc43)sc2C1)OC.

What is the InChIKey of [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?

The InChIKey is GHSNHUOXIZYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N6O8P2S2/c1-47-51(45,48-2)21-39-15-13-27-31(19-39)53-33(37-27)35(43)41-17-11-25-23(7-5-9-29(25)41)24-8-6-10-30-26(24)12-18-42(30)36(44)34-38-28-14-16-40(20-32(28)54-34)22-52(46,49-3)50-4/h5-10H,11-22H2,1-4H3.

What are the key properties of [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?

[4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone has a molecular weight of 812.85 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(dimethoxyphosphorylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone is sourced from PubChem (CID 147641628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).