7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158346165) has the molecular formula C60H63F6N19O4S3 and a molecular weight of 1324.48 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name	7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID	158346165
Molecular Formula	C60H63F6N19O4S3
Molecular Weight	1324.48 g/mol
Exact Mass	1323.44
IUPAC Name	7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILES	CN1CCN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccc(F)cc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(F)(F)F)ncnc2s1
InChI	InChI=1S/C21H24FN7OS.C20H21FN6OS.C19H18F4N6O2S/c1-28-8-9-29(15-3-2-14(22)10-16(15)28)18-17-20(26-12-25-18)31-21(27-17)19(30)24-11-13-4-6-23-7-5-13;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;20-11-1-2-12(13(7-11)31-19(21,22)23)28-15-14-17(27-9-26-15)32-18(29-14)16(30)25-8-10-3-5-24-6-4-10/h2-3,10,12-13,23H,4-9,11H2,1H3,(H,24,30);1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-2,7,9-10,24H,3-6,8H2,(H,25,30)(H,26,27,28)
InChIKey	GRTIDQLKSXCZLJ-UHFFFAOYSA-N
XLogP	8.79
TPSA	270.38 Å²
H-Bond Donors	7
H-Bond Acceptors	23
Rotatable Bonds	14
Heavy Atoms	92
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.48
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Analyze 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158346165) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN1CCN(c2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c2ccc(F)cc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(F)(F)F)ncnc2s1.

What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is GRTIDQLKSXCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7OS.C20H21FN6OS.C19H18F4N6O2S/c1-28-8-9-29(15-3-2-14(22)10-16(15)28)18-17-20(26-12-25-18)31-21(27-17)19(30)24-11-13-4-6-23-7-5-13;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;20-11-1-2-12(13(7-11)31-19(21,22)23)28-15-14-17(27-9-26-15)32-18(29-14)16(30)25-8-10-3-5-24-6-4-10/h2-3,10,12-13,23H,4-9,11H2,1H3,(H,24,30);1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-2,7,9-10,24H,3-6,8H2,(H,25,30)(H,26,27,28).

What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

Where does this data come from?

All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158346165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).