tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride

C86H87Cl3N20O4S4 — CID 159219620

IUPACtert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride
SMILESCl.Cl.Cl.Cn1cc2cc(-c3nc4ncc(-c5ccncc5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCNCC5)cc4s3)ccc2n1
InChIInChI=1S/C24H27N5O2S.C24H25N5O2S.C19H19N5S.C19H13N5S.3ClH/c2*1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19;2*1-24-11-15-8-13(2-3-16(15)23-24)19-22-18-17(25-19)9-14(10-21-18)12-4-6-20-7-5-12;;;/h5-6,11-15H,7-10H2,1-4H3;5-7,11-14H,8-10H2,1-4H3;2-3,8-12,20H,4-7H2,1H3;2-11H,1H3;3*1H
InChIKeyDKOBXJYTUIBBGC-UHFFFAOYSA-N
MW1699.40 g/mol
LogP19.91
Rot. Bonds8

About tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride

tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride (PubChem CID 159219620) has the molecular formula C86H87Cl3N20O4S4 and a molecular weight of 1699.40 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride
PubChem CID159219620
Molecular FormulaC86H87Cl3N20O4S4
Molecular Weight1699.40 g/mol
Exact Mass1696.52
IUPAC Nametert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride
SMILESCl.Cl.Cl.Cn1cc2cc(-c3nc4ncc(-c5ccncc5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCNCC5)cc4s3)ccc2n1
InChIInChI=1S/C24H27N5O2S.C24H25N5O2S.C19H19N5S.C19H13N5S.3ClH/c2*1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19;2*1-24-11-15-8-13(2-3-16(15)23-24)19-22-18-17(25-19)9-14(10-21-18)12-4-6-20-7-5-12;;;/h5-6,11-15H,7-10H2,1-4H3;5-7,11-14H,8-10H2,1-4H3;2-3,8-12,20H,4-7H2,1H3;2-11H,1H3;3*1H
InChIKeyDKOBXJYTUIBBGC-UHFFFAOYSA-N
XLogP19.91
TPSA258.40 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.40
LogP ≤ 519.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride with MolForge

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Related Compounds

4-[2-[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]-N,N-dimethylpiperazine-1-carboxamide;1-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(3-methylpiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(1-methylpyrazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-7H-cyclopenta[c]pyridine-6-carbonitrile
CID 159944940
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498
Tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 153383543
4-Fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine
CID 157373145
6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-2-amine
CID 157422584
6-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
CID 157451615
3-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157560862
1,3-Dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 157563028
N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157613938
2-(2-methylindazol-5-yl)-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole;N-methyl-2-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-6-amine;N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 157684978
tert-butyl 4-[2-(2,7-dimethylindazol-5-yl)-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2,7-dimethylindazol-5-yl)-1,3-benzothiazol-6-yl]piperidine-1-carboxylate;2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;dihydrochloride
CID 157888189
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole;5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 158073432

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride?
The IUPAC name of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride (CID 159219620) is tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride.
What is the SMILES notation for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride?
The canonical SMILES for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride is Cl.Cl.Cl.Cn1cc2cc(-c3nc4ncc(-c5ccncc5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCNCC5)cc4s3)ccc2n1.
What is the InChIKey of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride?
The InChIKey is DKOBXJYTUIBBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C24H25N5O2S.C19H19N5S.C19H13N5S.3ClH/c2*1-24(2,3)31-23(30)29-9-7-15(8-10-29)17-12-20-21(25-13-17)26-22(32-20)16-5-6-19-18(11-16)14-28(4)27-19;2*1-24-11-15-8-13(2-3-16(15)23-24)19-22-18-17(25-19)9-14(10-21-18)12-4-6-20-7-5-12;;;/h5-6,11-15H,7-10H2,1-4H3;5-7,11-14H,8-10H2,1-4H3;2-3,8-12,20H,4-7H2,1H3;2-11H,1H3;3*1H.
What are the key properties of tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride?
tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride has a molecular weight of 1699.40 g/mol, XLogP of 19.91, 8 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-(2-methylindazol-5-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine;2-(2-methylindazol-5-yl)-6-pyridin-4-yl-[1,3]thiazolo[4,5-b]pyridine;trihydrochloride is sourced from PubChem (CID 159219620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).