4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

C113H120ClN31O9 — CID 157322714

IUPAC4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCN)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCO)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCN3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3Cl)cn(CCO)c2cn1.CC(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C(C)C)c2cn1.Nc1nccc(C2=CCc3cnc(C#CC4(O)CC4)cc32)n1
InChIInChI=1S/C22H26N6O2.C19H22N6O.C19H21N5O2.C18H18ClN5O2.C18H19N5O.C17H14N4O/c1-22(2,29)5-3-16-13-17-18(19-4-6-24-21(23)26-19)15-28(20(17)14-25-16)8-7-27-9-11-30-12-10-27;1-19(2,26)6-4-13-10-14-15(16-5-8-22-18(21)24-16)12-25(9-3-7-20)17(14)11-23-13;1-19(2,26)6-4-13-10-14-15(16-5-7-21-18(20)23-16)12-24(8-3-9-25)17(14)11-22-13;1-18(2,26)4-3-11-7-12-13(16-14(19)8-22-17(20)23-16)10-24(5-6-25)15(12)9-21-11;1-11(2)23-10-15(16-6-7-20-18(19)22-16)14-8-13(5-4-12(3)24)21-9-17(14)23;18-16-19-8-4-15(21-16)13-2-1-11-10-20-12(9-14(11)13)3-5-17(22)6-7-17/h4,6,13-15,29H,7-12H2,1-2H3,(H2,23,24,26);5,8,10-12,26H,3,7,9,20H2,1-2H3,(H2,21,22,24);5,7,10-12,25-26H,3,8-9H2,1-2H3,(H2,20,21,23);7-10,25-26H,5-6H2,1-2H3,(H2,20,22,23);6-12,24H,1-3H3,(H2,19,20,22);2,4,8-10,22H,1,6-7H2,(H2,18,19,21)
InChIKeyBEIYIULWDTYCBS-UHFFFAOYSA-N
MW2091.86 g/mol
LogP10.21
Rot. Bonds18

About 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (PubChem CID 157322714) has the molecular formula C113H120ClN31O9 and a molecular weight of 2091.86 g/mol. Its IUPAC name is 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
PubChem CID157322714
Molecular FormulaC113H120ClN31O9
Molecular Weight2091.86 g/mol
Exact Mass2089.96
IUPAC Name4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCN)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCO)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCN3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3Cl)cn(CCO)c2cn1.CC(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C(C)C)c2cn1.Nc1nccc(C2=CCc3cnc(C#CC4(O)CC4)cc32)n1
InChIInChI=1S/C22H26N6O2.C19H22N6O.C19H21N5O2.C18H18ClN5O2.C18H19N5O.C17H14N4O/c1-22(2,29)5-3-16-13-17-18(19-4-6-24-21(23)26-19)15-28(20(17)14-25-16)8-7-27-9-11-30-12-10-27;1-19(2,26)6-4-13-10-14-15(16-5-8-22-18(21)24-16)12-25(9-3-7-20)17(14)11-23-13;1-19(2,26)6-4-13-10-14-15(16-5-7-21-18(20)23-16)12-24(8-3-9-25)17(14)11-22-13;1-18(2,26)4-3-11-7-12-13(16-14(19)8-22-17(20)23-16)10-24(5-6-25)15(12)9-21-11;1-11(2)23-10-15(16-6-7-20-18(19)22-16)14-8-13(5-4-12(3)24)21-9-17(14)23;18-16-19-8-4-15(21-16)13-2-1-11-10-20-12(9-14(11)13)3-5-17(22)6-7-17/h4,6,13-15,29H,7-12H2,1-2H3,(H2,23,24,26);5,8,10-12,26H,3,7,9,20H2,1-2H3,(H2,21,22,24);5,7,10-12,25-26H,3,8-9H2,1-2H3,(H2,20,21,23);7-10,25-26H,5-6H2,1-2H3,(H2,20,22,23);6-12,24H,1-3H3,(H2,19,20,22);2,4,8-10,22H,1,6-7H2,(H2,18,19,21)
InChIKeyBEIYIULWDTYCBS-UHFFFAOYSA-N
XLogP10.21
TPSA613.12 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002091.86
LogP ≤ 510.21
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(2-azabicyclo[2.1.1]hexan-2-yl)-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl]-3-(trifluoromethyl)pyridin-2-amine;1-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;4-cyclopropyl-6,6-dimethyl-2-(5-methyl-7H-cyclopenta[b]pyridin-3-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[6,6-dimethyl-2-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-(3-methoxyazetidin-1-yl)-2-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-6,8,9,10-tetrahydropurino[8,9-c][1,4]oxazepine
CID 157359688
4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 158653200
4-[3-(2-Amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 159498904
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
CID 159626269
1-[2-[3-[2-amino-1-[2-[3-(2-aminopyrimidin-4-yl)-5-(3-hydroxybut-1-ynyl)pyrrolo[2,3-c]pyridin-1-yl]propyl]pyrimidin-1-ium-4-yl]-7-[2-amino-5-chloro-4-[1-(2-hydroxyethyl)-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidin-1-ium-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopropan-1-ol
CID 123943765
(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 157403049
4-[3-(2-Amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-methylpyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-6-methylpyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-methylpyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-methoxypropyl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 157442513
1-[2-[3-(2-Amino-5-chloropyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 157568819
3-(5-chloro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;2-[6-(4-fluoro-4-methylpiperidin-1-yl)-3-pyridinyl]-3-(4-methylphenyl)imidazo[4,5-c]pyridine;5-[3-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyridin-2-amine;3-(5-fluoro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)-3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridine
CID 157918105
3-(5-chloro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-yl)pyridin-2-amine;3-(4-fluorophenyl)-2-(6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;3-(5-fluoro-2-pyridinyl)-2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridine;methane;2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)-3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridine
CID 158026137
4-[1-(4-chlorophenyl)imidazo[1,5-a]pyrazin-3-yl]morpholine;1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyrazin-3-amine;2-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methylamino]ethanol;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol;4-[1-(4-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]morpholine
CID 158041015
4-[3-(2-Amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane
CID 158077302

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?
The IUPAC name of 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (CID 157322714) is 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.
What is the SMILES notation for 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?
The canonical SMILES for 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCN)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCCO)c2cn1.CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(CCN3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3Cl)cn(CCO)c2cn1.CC(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C(C)C)c2cn1.Nc1nccc(C2=CCc3cnc(C#CC4(O)CC4)cc32)n1.
What is the InChIKey of 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?
The InChIKey is BEIYIULWDTYCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C19H22N6O.C19H21N5O2.C18H18ClN5O2.C18H19N5O.C17H14N4O/c1-22(2,29)5-3-16-13-17-18(19-4-6-24-21(23)26-19)15-28(20(17)14-25-16)8-7-27-9-11-30-12-10-27;1-19(2,26)6-4-13-10-14-15(16-5-8-22-18(21)24-16)12-25(9-3-7-20)17(14)11-23-13;1-19(2,26)6-4-13-10-14-15(16-5-7-21-18(20)23-16)12-24(8-3-9-25)17(14)11-22-13;1-18(2,26)4-3-11-7-12-13(16-14(19)8-22-17(20)23-16)10-24(5-6-25)15(12)9-21-11;1-11(2)23-10-15(16-6-7-20-18(19)22-16)14-8-13(5-4-12(3)24)21-9-17(14)23;18-16-19-8-4-15(21-16)13-2-1-11-10-20-12(9-14(11)13)3-5-17(22)6-7-17/h4,6,13-15,29H,7-12H2,1-2H3,(H2,23,24,26);5,8,10-12,26H,3,7,9,20H2,1-2H3,(H2,21,22,24);5,7,10-12,25-26H,3,8-9H2,1-2H3,(H2,20,21,23);7-10,25-26H,5-6H2,1-2H3,(H2,20,22,23);6-12,24H,1-3H3,(H2,19,20,22);2,4,8-10,22H,1,6-7H2,(H2,18,19,21).
What are the key properties of 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?
4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol has a molecular weight of 2091.86 g/mol, XLogP of 10.21, 18 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-5-chloropyrimidin-4-yl)-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-aminopropyl)-3-(2-aminopyrimidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;1-[2-[5-(2-aminopyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]ethynyl]cyclopropan-1-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(3-hydroxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is sourced from PubChem (CID 157322714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).