N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide

C26H32F2N4O3S — CID 138670901

About N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide (PubChem CID 138670901) has the molecular formula C26H32F2N4O3S and a molecular weight of 518.63 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide
• PubChem CID: 138670901
• Molecular Formula: C26H32F2N4O3S
• Molecular Weight: 518.63 g/mol
• Exact Mass: 518.22
• IUPAC Name: N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide
• SMILES: CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4c3NC(=O)C4)CC1)C2
• InChI: InChI=1S/C26H32F2N4O3S/c1-26(27,28)15-35-25-30-20-14-32(12-10-21(20)36-25)11-9-16-5-7-18(8-6-16)29-24(34)19-4-2-3-17-13-22(33)31-23(17)19/h2-4,16,18H,5-15H2,1H3,(H,29,34)(H,31,33)
• InChIKey: QIHUFWKGZVTWIJ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.63
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide (CID 138670901) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide.

What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4c3NC(=O)C4)CC1)C2.

What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

The InChIKey is QIHUFWKGZVTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O3S/c1-26(27,28)15-35-25-30-20-14-32(12-10-21(20)36-25)11-9-16-5-7-18(8-6-16)29-24(34)19-4-2-3-17-13-22(33)31-23(17)19/h2-4,16,18H,5-15H2,1H3,(H,29,34)(H,31,33).

What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide?

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide has a molecular weight of 518.63 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-oxo-1,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 138670901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).