3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

C120H115F2N45S7 — CID 159454664

IUPAC3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESC1=CC(c2nsc3cc(Nc4[nH]nc5nccnc45)ccc23)=CC1.CC1(F)CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CN(Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12)C1CC(C)(F)C1.Cc1csc2cc(Nc3[nH]nc4ncccc34)cnc12.c1cnc2n[nH]c(Nc3cnc4c(CN5CCCCC5)nsc4c3)c2c1
InChIInChI=1S/2C19H20FN7S.C19H21N7S.C18H19N7S.C17H12N6S.C14H12N6S.C14H11N5S/c1-19(20)7-12(8-19)27(2)10-14-16-15(28-26-14)6-11(9-22-16)23-18-17-13(24-25-18)4-3-5-21-17;1-19(20)4-7-27(8-5-19)11-14-16-15(28-26-14)9-12(10-22-16)23-18-17-13(24-25-18)3-2-6-21-17;1-12-4-7-26(8-5-12)11-15-17-16(27-25-15)9-13(10-21-17)22-19-18-14(23-24-19)3-2-6-20-18;1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-13-5-4-6-19-17(13)22-23-18;1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-10-3-2-4-15-13(10)18-19-14/h3-6,9,12H,7-8,10H2,1-2H3,(H2,23,24,25);2-3,6,9-10H,4-5,7-8,11H2,1H3,(H2,23,24,25);2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,22,23,24);4-6,9-10H,1-3,7-8,11H2,(H2,19,21,22,23);1,3-9H,2H2,(H2,19,20,21,22);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,15,17,18,19)
InChIKeyLTUVUYCPYGNBBU-UHFFFAOYSA-N
MW2450.02 g/mol
LogP26.63
Rot. Bonds25

About 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 159454664) has the molecular formula C120H115F2N45S7 and a molecular weight of 2450.02 g/mol. Its IUPAC name is 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
PubChem CID159454664
Molecular FormulaC120H115F2N45S7
Molecular Weight2450.02 g/mol
Exact Mass2447.84
IUPAC Name3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESC1=CC(c2nsc3cc(Nc4[nH]nc5nccnc45)ccc23)=CC1.CC1(F)CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CN(Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12)C1CC(C)(F)C1.Cc1csc2cc(Nc3[nH]nc4ncccc34)cnc12.c1cnc2n[nH]c(Nc3cnc4c(CN5CCCCC5)nsc4c3)c2c1
InChIInChI=1S/2C19H20FN7S.C19H21N7S.C18H19N7S.C17H12N6S.C14H12N6S.C14H11N5S/c1-19(20)7-12(8-19)27(2)10-14-16-15(28-26-14)6-11(9-22-16)23-18-17-13(24-25-18)4-3-5-21-17;1-19(20)4-7-27(8-5-19)11-14-16-15(28-26-14)9-12(10-22-16)23-18-17-13(24-25-18)3-2-6-21-17;1-12-4-7-26(8-5-12)11-15-17-16(27-25-15)9-13(10-21-17)22-19-18-14(23-24-19)3-2-6-20-18;1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-13-5-4-6-19-17(13)22-23-18;1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-10-3-2-4-15-13(10)18-19-14/h3-6,9,12H,7-8,10H2,1-2H3,(H2,23,24,25);2-3,6,9-10H,4-5,7-8,11H2,1H3,(H2,23,24,25);2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,22,23,24);4-6,9-10H,1-3,7-8,11H2,(H2,19,21,22,23);1,3-9H,2H2,(H2,19,20,21,22);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,15,17,18,19)
InChIKeyLTUVUYCPYGNBBU-UHFFFAOYSA-N
XLogP26.63
TPSA555.73 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds25
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002450.02
LogP ≤ 526.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Analyze 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

US10221172, Example 46
CID 122419055
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136495667
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 136495733
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136944958
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 137054966
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
N-[5-[7-[2-[2-amino-1-[5-methyl-2-(5-pyrimidin-5-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1H-imidazol-4-yl]ethenyl]-5-fluorothiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137143346
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145664975

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (CID 159454664) is 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is C1=CC(c2nsc3cc(Nc4[nH]nc5nccnc45)ccc23)=CC1.CC1(F)CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CC1CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1.CCc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12.CN(Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12)C1CC(C)(F)C1.Cc1csc2cc(Nc3[nH]nc4ncccc34)cnc12.c1cnc2n[nH]c(Nc3cnc4c(CN5CCCCC5)nsc4c3)c2c1.
What is the InChIKey of 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is LTUVUYCPYGNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20FN7S.C19H21N7S.C18H19N7S.C17H12N6S.C14H12N6S.C14H11N5S/c1-19(20)7-12(8-19)27(2)10-14-16-15(28-26-14)6-11(9-22-16)23-18-17-13(24-25-18)4-3-5-21-17;1-19(20)4-7-27(8-5-19)11-14-16-15(28-26-14)9-12(10-22-16)23-18-17-13(24-25-18)3-2-6-21-17;1-12-4-7-26(8-5-12)11-15-17-16(27-25-15)9-13(10-21-17)22-19-18-14(23-24-19)3-2-6-20-18;1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-13-5-4-6-19-17(13)22-23-18;1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15;1-2-9-12-11(21-20-9)6-8(7-16-12)17-14-13-10(18-19-14)4-3-5-15-13;1-8-7-20-11-5-9(6-16-12(8)11)17-14-10-3-2-4-15-13(10)18-19-14/h3-6,9,12H,7-8,10H2,1-2H3,(H2,23,24,25);2-3,6,9-10H,4-5,7-8,11H2,1H3,(H2,23,24,25);2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,22,23,24);4-6,9-10H,1-3,7-8,11H2,(H2,19,21,22,23);1,3-9H,2H2,(H2,19,20,21,22);3-7H,2H2,1H3,(H2,17,18,19);2-7H,1H3,(H2,15,17,18,19).
What are the key properties of 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 2450.02 g/mol, XLogP of 26.63, 25 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,4-dien-1-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzothiazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[[(3-fluoro-3-methylcyclobutyl)-methylamino]methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-[(4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine;3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[3,2-b]pyridin-6-amine;3-(piperidin-1-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 159454664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).