4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one

C27H33F2N3O3S — CID 157109988

IUPAC4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4c3CC(=O)N4)CC1)C2
InChIInChI=1S/C27H33F2N3O3S/c1-27(28,29)16-35-26-31-22-15-32(12-10-24(22)36-26)11-9-17-5-7-18(8-6-17)13-23(33)19-3-2-4-21-20(19)14-25(34)30-21/h2-4,17-18H,5-16H2,1H3,(H,30,34)
InChIKeyAGSUMSGGJPRXFO-UHFFFAOYSA-N
MW517.64 g/mol
LogP5.50
Rot. Bonds9

About 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one

4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 157109988) has the molecular formula C27H33F2N3O3S and a molecular weight of 517.64 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one
PubChem CID157109988
Molecular FormulaC27H33F2N3O3S
Molecular Weight517.64 g/mol
Exact Mass517.22
IUPAC Name4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4c3CC(=O)N4)CC1)C2
InChIInChI=1S/C27H33F2N3O3S/c1-27(28,29)16-35-26-31-22-15-32(12-10-24(22)36-26)11-9-17-5-7-18(8-6-17)13-23(33)19-3-2-4-21-20(19)14-25(34)30-21/h2-4,17-18H,5-16H2,1H3,(H,30,34)
InChIKeyAGSUMSGGJPRXFO-UHFFFAOYSA-N
XLogP5.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(3-methyl-2H-indazol-7-yl)ethanone
CID 159049893
6-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
CID 160899531
2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-pyridazin-4-ylethanone
CID 158356545
4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
CID 162171065
1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-4-methylpent-3-en-2-one
CID 159613086
4-[2-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-2-methyl-3H-isoindol-1-one
CID 161319502
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide
CID 138671460
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide
CID 138670821
N-[(1R,3R)-3-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclopentyl]-2-methylindazole-4-carboxamide
CID 138671634
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzodioxole-4-carboxamide
CID 138671557
(E)-1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-4-pyrimidin-5-ylbut-3-en-2-one
CID 162142082
1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one
CID 158266892

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one (CID 157109988) is 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4c3CC(=O)N4)CC1)C2.
What is the InChIKey of 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one?
The InChIKey is AGSUMSGGJPRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O3S/c1-27(28,29)16-35-26-31-22-15-32(12-10-24(22)36-26)11-9-17-5-7-18(8-6-17)13-23(33)19-3-2-4-21-20(19)14-25(34)30-21/h2-4,17-18H,5-16H2,1H3,(H,30,34).
What are the key properties of 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one?
4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 517.64 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 157109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).