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

C34H30F6N6O2S2 — CID 139573583

IUPAC[4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone
SMILESO=C(c1nc2c(s1)CN(CC(F)(F)F)CC2)N1CCc2c(-c3cccc4c3CCN4C(=O)c3nc4c(s3)CN(CC(F)(F)F)CC4)cccc21
InChIInChI=1S/C34H30F6N6O2S2/c35-33(36,37)17-43-11-9-23-27(15-43)49-29(41-23)31(47)45-13-7-21-19(3-1-5-25(21)45)20-4-2-6-26-22(20)8-14-46(26)32(48)30-42-24-10-12-44(16-28(24)50-30)18-34(38,39)40/h1-6H,7-18H2
InChIKeyBYPLNFYRQRQZBB-UHFFFAOYSA-N
MW732.78 g/mol
LogP6.51
Rot. Bonds5

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

[4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone (PubChem CID 139573583) has the molecular formula C34H30F6N6O2S2 and a molecular weight of 732.78 g/mol. Its IUPAC name is [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone
PubChem CID139573583
Molecular FormulaC34H30F6N6O2S2
Molecular Weight732.78 g/mol
Exact Mass732.18
IUPAC Name[4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone
SMILESO=C(c1nc2c(s1)CN(CC(F)(F)F)CC2)N1CCc2c(-c3cccc4c3CCN4C(=O)c3nc4c(s3)CN(CC(F)(F)F)CC4)cccc21
InChIInChI=1S/C34H30F6N6O2S2/c35-33(36,37)17-43-11-9-23-27(15-43)49-29(41-23)31(47)45-13-7-21-19(3-1-5-25(21)45)20-4-2-6-26-22(20)8-14-46(26)32(48)30-42-24-10-12-44(16-28(24)50-30)18-34(38,39)40/h1-6H,7-18H2
InChIKeyBYPLNFYRQRQZBB-UHFFFAOYSA-N
XLogP6.51
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.78
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?
The IUPAC name of [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone (CID 139573583) is [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone.
What is the SMILES notation for [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?
The canonical SMILES for [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone is O=C(c1nc2c(s1)CN(CC(F)(F)F)CC2)N1CCc2c(-c3cccc4c3CCN4C(=O)c3nc4c(s3)CN(CC(F)(F)F)CC4)cccc21.
What is the InChIKey of [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?
The InChIKey is BYPLNFYRQRQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F6N6O2S2/c35-33(36,37)17-43-11-9-23-27(15-43)49-29(41-23)31(47)45-13-7-21-19(3-1-5-25(21)45)20-4-2-6-26-22(20)8-14-46(26)32(48)30-42-24-10-12-44(16-28(24)50-30)18-34(38,39)40/h1-6H,7-18H2.
What are the key properties of [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone?
[4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone has a molecular weight of 732.78 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]-2,3-dihydroindol-4-yl]-2,3-dihydroindol-1-yl]-[5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanone is sourced from PubChem (CID 139573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).