4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide

C22H26FN5O3S — CID 71657548

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide (PubChem CID 71657548) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
• PubChem CID: 71657548
• Molecular Formula: C22H26FN5O3S
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.17
• IUPAC Name: 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
• SMILES: O=C(CO)N1CCc2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)sc2C1
• InChI: InChI=1S/C22H26FN5O3S/c23-15-2-1-14-3-10-28(18(14)11-15)16-4-7-26(8-5-16)22(31)25-21-24-17-6-9-27(20(30)13-29)12-19(17)32-21/h1-2,11,16,29H,3-10,12-13H2,(H,24,25,31)
• InChIKey: ZZKPGGXACUXCPF-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide?

The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide (CID 71657548) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide is O=C(CO)N1CCc2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)sc2C1.

What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide?

The InChIKey is ZZKPGGXACUXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c23-15-2-1-14-3-10-28(18(14)11-15)16-4-7-26(8-5-16)22(31)25-21-24-17-6-9-27(20(30)13-29)12-19(17)32-21/h1-2,11,16,29H,3-10,12-13H2,(H,24,25,31).

What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide?

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71657548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).