7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C100H107F3N28O9S5 — CID 159108997

IUPAC7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccccc32)CC1.CNC(=O)c1nc2c(N3CC(C)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4ccccc43)ncnc2s1
InChIInChI=1S/C26H33N7O2S.C25H30N6O3S.C17H17N5O2S.C16H12F3N5OS.C16H15N5OS/c1-31-10-12-32(13-11-31)9-6-18-16-33(21-5-3-2-4-20(18)21)23-22-25(28-17-27-23)36-26(30-22)24(34)29-19-7-14-35-15-8-19;32-23(28-18-6-11-33-12-7-18)25-29-21-22(26-16-27-24(21)35-25)31-15-17(19-3-1-2-4-20(19)31)5-8-30-9-13-34-14-10-30;1-18-15(24)17-21-13-14(19-9-20-16(13)25-17)22-8-10(6-7-23)11-4-2-3-5-12(11)22;1-20-13(25)15-23-11-12(21-7-22-14(11)26-15)24-5-4-8-6-9(16(17,18)19)2-3-10(8)24;1-9-7-21(11-6-4-3-5-10(9)11)13-12-15(19-8-18-13)23-16(20-12)14(22)17-2/h2-5,17-19H,6-16H2,1H3,(H,29,34);1-4,16-18H,5-15H2,(H,28,32);2-5,9-10,23H,6-8H2,1H3,(H,18,24);2-3,6-7H,4-5H2,1H3,(H,20,25);3-6,8-9H,7H2,1-2H3,(H,17,22)
InChIKeyKEFYVIIQYWWWLA-UHFFFAOYSA-N
MW2062.47 g/mol
LogP13.74
Rot. Bonds20

About 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 159108997) has the molecular formula C100H107F3N28O9S5 and a molecular weight of 2062.47 g/mol. Its IUPAC name is 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID159108997
Molecular FormulaC100H107F3N28O9S5
Molecular Weight2062.47 g/mol
Exact Mass2060.73
IUPAC Name7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccccc32)CC1.CNC(=O)c1nc2c(N3CC(C)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4ccccc43)ncnc2s1
InChIInChI=1S/C26H33N7O2S.C25H30N6O3S.C17H17N5O2S.C16H12F3N5OS.C16H15N5OS/c1-31-10-12-32(13-11-31)9-6-18-16-33(21-5-3-2-4-20(18)21)23-22-25(28-17-27-23)36-26(30-22)24(34)29-19-7-14-35-15-8-19;32-23(28-18-6-11-33-12-7-18)25-29-21-22(26-16-27-24(21)35-25)31-15-17(19-3-1-2-4-20(19)31)5-8-30-9-13-34-14-10-30;1-18-15(24)17-21-13-14(19-9-20-16(13)25-17)22-8-10(6-7-23)11-4-2-3-5-12(11)22;1-20-13(25)15-23-11-12(21-7-22-14(11)26-15)24-5-4-8-6-9(16(17,18)19)2-3-10(8)24;1-9-7-21(11-6-4-3-5-10(9)11)13-12-15(19-8-18-13)23-16(20-12)14(22)17-2/h2-5,17-19H,6-16H2,1H3,(H,29,34);1-4,16-18H,5-15H2,(H,28,32);2-5,9-10,23H,6-8H2,1H3,(H,18,24);2-3,6-7H,4-5H2,1H3,(H,20,25);3-6,8-9H,7H2,1-2H3,(H,17,22)
InChIKeyKEFYVIIQYWWWLA-UHFFFAOYSA-N
XLogP13.74
TPSA412.69 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.47
LogP ≤ 513.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[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-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 159108997) is 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccccc32)CC1.CNC(=O)c1nc2c(N3CC(C)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.CNC(=O)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4ccccc43)ncnc2s1.
What is the InChIKey of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is KEFYVIIQYWWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S.C25H30N6O3S.C17H17N5O2S.C16H12F3N5OS.C16H15N5OS/c1-31-10-12-32(13-11-31)9-6-18-16-33(21-5-3-2-4-20(18)21)23-22-25(28-17-27-23)36-26(30-22)24(34)29-19-7-14-35-15-8-19;32-23(28-18-6-11-33-12-7-18)25-29-21-22(26-16-27-24(21)35-25)31-15-17(19-3-1-2-4-20(19)31)5-8-30-9-13-34-14-10-30;1-18-15(24)17-21-13-14(19-9-20-16(13)25-17)22-8-10(6-7-23)11-4-2-3-5-12(11)22;1-20-13(25)15-23-11-12(21-7-22-14(11)26-15)24-5-4-8-6-9(16(17,18)19)2-3-10(8)24;1-9-7-21(11-6-4-3-5-10(9)11)13-12-15(19-8-18-13)23-16(20-12)14(22)17-2/h2-5,17-19H,6-16H2,1H3,(H,29,34);1-4,16-18H,5-15H2,(H,28,32);2-5,9-10,23H,6-8H2,1H3,(H,18,24);2-3,6-7H,4-5H2,1H3,(H,20,25);3-6,8-9H,7H2,1-2H3,(H,17,22).
What are the key properties of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 2062.47 g/mol, XLogP of 13.74, 20 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 159108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).