1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

C110H135N23O13 — CID 157316183

IUPAC1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(NC(=O)OCc3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCNC(=O)c3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3c(C)cc(C)nc3OC)c3cnn(C(C)C)c3n2)c1.COc1nc(C)cc(C)c1CNc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C28H36N6O3.C28H34N6O3.C27H34N6O3.C27H31N5O4/c1-17(2)34-27-24(15-31-34)26(30-14-23-18(3)10-19(4)32-28(23)36-6)12-25(33-27)20-8-7-9-22(11-20)37-16-21(35)13-29-5;1-19(2)34-27-24(17-32-34)26(30-12-13-31-28(36)20-8-5-4-6-9-20)15-25(33-27)21-10-7-11-23(14-21)37-18-22(35)16-29-3;1-16(2)33-26-23(14-30-33)25(29-13-22-17(3)9-18(4)31-27(22)35-5)11-24(32-26)19-7-6-8-21(10-19)36-15-20(34)12-28;1-18(2)32-26-23(15-29-32)25(31-27(34)36-16-19-8-5-4-6-9-19)13-24(30-26)20-10-7-11-22(12-20)35-17-21(33)14-28-3/h7-12,15,17,21,29,35H,13-14,16H2,1-6H3,(H,30,33);4-11,14-15,17,19,22,29,35H,12-13,16,18H2,1-3H3,(H,30,33)(H,31,36);6-11,14,16,20,34H,12-13,15,28H2,1-5H3,(H,29,32);4-13,15,18,21,28,33H,14,16-17H2,1-3H3,(H,30,31,34)
InChIKeyBDPUBAICJGZWJN-UHFFFAOYSA-N
MW1987.44 g/mol
LogP16.15
Rot. Bonds43

About 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol

1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 157316183) has the molecular formula C110H135N23O13 and a molecular weight of 1987.44 g/mol. Its IUPAC name is 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID157316183
Molecular FormulaC110H135N23O13
Molecular Weight1987.44 g/mol
Exact Mass1986.06
IUPAC Name1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(NC(=O)OCc3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCNC(=O)c3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3c(C)cc(C)nc3OC)c3cnn(C(C)C)c3n2)c1.COc1nc(C)cc(C)c1CNc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C28H36N6O3.C28H34N6O3.C27H34N6O3.C27H31N5O4/c1-17(2)34-27-24(15-31-34)26(30-14-23-18(3)10-19(4)32-28(23)36-6)12-25(33-27)20-8-7-9-22(11-20)37-16-21(35)13-29-5;1-19(2)34-27-24(17-32-34)26(30-12-13-31-28(36)20-8-5-4-6-9-20)15-25(33-27)21-10-7-11-23(14-21)37-18-22(35)16-29-3;1-16(2)33-26-23(14-30-33)25(29-13-22-17(3)9-18(4)31-27(22)35-5)11-24(32-26)19-7-6-8-21(10-19)36-15-20(34)12-28;1-18(2)32-26-23(15-29-32)25(31-27(34)36-16-19-8-5-4-6-9-19)13-24(30-26)20-10-7-11-22(12-20)35-17-21(33)14-28-3/h7-12,15,17,21,29,35H,13-14,16H2,1-6H3,(H,30,33);4-11,14-15,17,19,22,29,35H,12-13,16,18H2,1-3H3,(H,30,33)(H,31,36);6-11,14,16,20,34H,12-13,15,28H2,1-5H3,(H,29,32);4-13,15,18,21,28,33H,14,16-17H2,1-3H3,(H,30,31,34)
InChIKeyBDPUBAICJGZWJN-UHFFFAOYSA-N
XLogP16.15
TPSA450.55 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001987.44
LogP ≤ 516.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 157471959
2-(3-Methoxy-4-methylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-phenoxyphenyl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-phenoxyphenyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-phenyl-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157477000
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 157728761
1-[6-(dimethylamino)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2-piperidin-3-ylethanone;6-(2-hydroxyethylamino)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-6-[methyl(2-methylpropyl)amino]-N-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carboxamide;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-3-ylethanone;2-phenyl-1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone;1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 157874743
acetic acid;N-[[6-(azepan-1-yl)-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]-1-phenylmethanamine;N-cyclohexyl-1-methyl-5-piperidin-1-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)benzamide;1-methyl-6-[(2-phenylphenyl)methoxy]-N-[1-[(2-phenylphenyl)methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine-3-carboxamide;hexakis(2,2,2-trifluoroacetic acid);hydrochloride
CID 157929419
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158122701
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158294318
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158380688
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158439352
N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 158782710
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158851980

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 157316183) is 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2cc(NC(=O)OCc3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCCNC(=O)c3ccccc3)c3cnn(C(C)C)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NCc3c(C)cc(C)nc3OC)c3cnn(C(C)C)c3n2)c1.COc1nc(C)cc(C)c1CNc1cc(-c2cccc(OCC(O)CN)c2)nc2c1cnn2C(C)C.
What is the InChIKey of 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is BDPUBAICJGZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3.C28H34N6O3.C27H34N6O3.C27H31N5O4/c1-17(2)34-27-24(15-31-34)26(30-14-23-18(3)10-19(4)32-28(23)36-6)12-25(33-27)20-8-7-9-22(11-20)37-16-21(35)13-29-5;1-19(2)34-27-24(17-32-34)26(30-12-13-31-28(36)20-8-5-4-6-9-20)15-25(33-27)21-10-7-11-23(14-21)37-18-22(35)16-29-3;1-16(2)33-26-23(14-30-33)25(29-13-22-17(3)9-18(4)31-27(22)35-5)11-24(32-26)19-7-6-8-21(10-19)36-15-20(34)12-28;1-18(2)32-26-23(15-29-32)25(31-27(34)36-16-19-8-5-4-6-9-19)13-24(30-26)20-10-7-11-22(12-20)35-17-21(33)14-28-3/h7-12,15,17,21,29,35H,13-14,16H2,1-6H3,(H,30,33);4-11,14-15,17,19,22,29,35H,12-13,16,18H2,1-3H3,(H,30,33)(H,31,36);6-11,14,16,20,34H,12-13,15,28H2,1-5H3,(H,29,32);4-13,15,18,21,28,33H,14,16-17H2,1-3H3,(H,30,31,34).
What are the key properties of 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 1987.44 g/mol, XLogP of 16.15, 43 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;N-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]ethyl]benzamide;1-[3-[4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 157316183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).