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

C22H26FN5O2S — CID 71657446

IUPACN-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCc2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)sc2C1
InChIInChI=1S/C22H26FN5O2S/c1-14(29)27-10-7-18-20(13-27)31-21(24-18)25-22(30)26-8-5-17(6-9-26)28-11-4-15-2-3-16(23)12-19(15)28/h2-3,12,17H,4-11,13H2,1H3,(H,24,25,30)
InChIKeyYKDYFUDIQVPUFD-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.25
Rot. Bonds2

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

N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide (PubChem CID 71657446) has the molecular formula C22H26FN5O2S and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
PubChem CID71657446
Molecular FormulaC22H26FN5O2S
Molecular Weight443.55 g/mol
Exact Mass443.18
IUPAC NameN-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCc2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)sc2C1
InChIInChI=1S/C22H26FN5O2S/c1-14(29)27-10-7-18-20(13-27)31-21(24-18)25-22(30)26-8-5-17(6-9-26)28-11-4-15-2-3-16(23)12-19(15)28/h2-3,12,17H,4-11,13H2,1H3,(H,24,25,30)
InChIKeyYKDYFUDIQVPUFD-UHFFFAOYSA-N
XLogP3.25
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(6-fluoroindolin-1-yl)-N-(6-hydroxy-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)piperidine-1-carboxamide
CID 72725463
4-(6-fluoroindolin-1-yl)-N-(4-methylthiazol-2-yl)piperidine-1-carboxamide
CID 71657232
4-(2,3-dihydroindol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657335
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657336
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
4-(6-fluoroindolin-1-yl)-N-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657340
2-(4-(6-Fluoroindolin-1-yl)piperidine-1-carboxamido)thiazole-4-carboxamide
CID 71657442
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 71657443
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide
CID 71657444
4-(6-fluoroindolin-1-yl)-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 71657445
4-(6-fluoroindolin-1-yl)-N-(5-(2-hydroxyacetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 71657548
4-(6-fluoroindolin-1-yl)-N-(4-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 72725459

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide (CID 71657446) is N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide is CC(=O)N1CCc2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)sc2C1.
What is the InChIKey of N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide?
The InChIKey is YKDYFUDIQVPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2S/c1-14(29)27-10-7-18-20(13-27)31-21(24-18)25-22(30)26-8-5-17(6-9-26)28-11-4-15-2-3-16(23)12-19(15)28/h2-3,12,17H,4-11,13H2,1H3,(H,24,25,30).
What are the key properties of N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide?
N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(6-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71657446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).