7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C80H85BrClF3N24O4S4 — CID 161396934

IUPAC7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)NCC3CCNCC3)nc12.NCCC1CN(c2ncnc3sc(C(=O)NCCC(F)(F)F)nc23)c2ccccc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Br)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1
InChIInChI=1S/C21H24N6OS.C20H21BrN6OS.C20H21ClN6OS.C19H19F3N6OS/c1-13-2-3-16-15(10-13)6-9-27(16)18-17-20(25-12-24-18)29-21(26-17)19(28)23-11-14-4-7-22-8-5-14;2*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;20-19(21,22)6-8-24-16(29)18-27-14-15(25-10-26-17(14)30-18)28-9-11(5-7-23)12-3-1-2-4-13(12)28/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,28);2*1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-4,10-11H,5-9,23H2,(H,24,29)
InChIKeyVTSKWIYSBCEXAX-UHFFFAOYSA-N
MW1747.34 g/mol
LogP12.61
Rot. Bonds18

About 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 161396934) has the molecular formula C80H85BrClF3N24O4S4 and a molecular weight of 1747.34 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID161396934
Molecular FormulaC80H85BrClF3N24O4S4
Molecular Weight1747.34 g/mol
Exact Mass1744.49
IUPAC Name7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)NCC3CCNCC3)nc12.NCCC1CN(c2ncnc3sc(C(=O)NCCC(F)(F)F)nc23)c2ccccc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Br)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1
InChIInChI=1S/C21H24N6OS.C20H21BrN6OS.C20H21ClN6OS.C19H19F3N6OS/c1-13-2-3-16-15(10-13)6-9-27(16)18-17-20(25-12-24-18)29-21(26-17)19(28)23-11-14-4-7-22-8-5-14;2*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;20-19(21,22)6-8-24-16(29)18-27-14-15(25-10-26-17(14)30-18)28-9-11(5-7-23)12-3-1-2-4-13(12)28/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,28);2*1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-4,10-11H,5-9,23H2,(H,24,29)
InChIKeyVTSKWIYSBCEXAX-UHFFFAOYSA-N
XLogP12.61
TPSA346.15 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001747.34
LogP ≤ 512.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 158692812
7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-1-(oxolan-3-yl)ethanone
CID 161903164
7-(5-chloro-7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;3-[[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropan-1-amine
CID 158099545
7-[3-[2-(dimethylamino)ethyl]-5-fluoro-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(3-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 158151544
7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylbutan-1-amine;3-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159909853
7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 160083854

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 161396934) is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is Cc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)NCC3CCNCC3)nc12.NCCC1CN(c2ncnc3sc(C(=O)NCCC(F)(F)F)nc23)c2ccccc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Br)ccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1.
What is the InChIKey of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is VTSKWIYSBCEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS.C20H21BrN6OS.C20H21ClN6OS.C19H19F3N6OS/c1-13-2-3-16-15(10-13)6-9-27(16)18-17-20(25-12-24-18)29-21(26-17)19(28)23-11-14-4-7-22-8-5-14;2*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;20-19(21,22)6-8-24-16(29)18-27-14-15(25-10-26-17(14)30-18)28-9-11(5-7-23)12-3-1-2-4-13(12)28/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,28);2*1-2,9,11-12,22H,3-8,10H2,(H,23,28);1-4,10-11H,5-9,23H2,(H,24,29).
What are the key properties of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1747.34 g/mol, XLogP of 12.61, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-bromo-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-methyl-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 161396934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).