3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol

C125H142F2N36O9 — CID 158427812

IUPAC3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCC(C)(O)C4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCC(F)(F)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(CC5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCc5nc(C6CC6)oc5C4)c3)n[nH]c2cn1.CCc1nnc2n1CCN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)C2.Cc1nc2c(o1)CN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)CC2
InChIInChI=1S/C23H24N6O2.C22H28N6O.C21H24N8O.C21H22N6O2.C19H21F2N5O.C19H23N5O2/c1-13(2)30-21-10-16-18(11-25-21)27-28-22(16)15-5-7-24-20(9-15)29-8-6-17-19(12-29)31-23(26-17)14-3-4-14;1-15(2)29-21-12-18-19(13-24-21)25-26-22(18)17-5-6-23-20(11-17)28-9-7-27(8-10-28)14-16-3-4-16;1-4-17-25-26-19-12-28(7-8-29(17)19)18-9-14(5-6-22-18)21-15-10-20(30-13(2)3)23-11-16(15)24-27-21;1-12(2)28-20-9-15-17(10-23-20)25-26-21(15)14-4-6-22-19(8-14)27-7-5-16-18(11-27)29-13(3)24-16;1-12(2)27-17-10-14-15(11-23-17)24-25-18(14)13-3-6-22-16(9-13)26-7-4-19(20,21)5-8-26;1-12(2)26-17-9-14-15(10-21-17)22-23-18(14)13-4-6-20-16(8-13)24-7-5-19(3,25)11-24/h5,7,9-11,13-14H,3-4,6,8,12H2,1-2H3,(H,27,28);5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,25,26);5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,24,27);4,6,8-10,12H,5,7,11H2,1-3H3,(H,25,26);3,6,9-12H,4-5,7-8H2,1-2H3,(H,24,25);4,6,8-10,12,25H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyHBGSJBYIHKIXIK-UHFFFAOYSA-N
MW2330.75 g/mol
LogP21.03
Rot. Bonds28

About 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol

3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 158427812) has the molecular formula C125H142F2N36O9 and a molecular weight of 2330.75 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID158427812
Molecular FormulaC125H142F2N36O9
Molecular Weight2330.75 g/mol
Exact Mass2329.17
IUPAC Name3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCC(C)(O)C4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCC(F)(F)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(CC5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCc5nc(C6CC6)oc5C4)c3)n[nH]c2cn1.CCc1nnc2n1CCN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)C2.Cc1nc2c(o1)CN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)CC2
InChIInChI=1S/C23H24N6O2.C22H28N6O.C21H24N8O.C21H22N6O2.C19H21F2N5O.C19H23N5O2/c1-13(2)30-21-10-16-18(11-25-21)27-28-22(16)15-5-7-24-20(9-15)29-8-6-17-19(12-29)31-23(26-17)14-3-4-14;1-15(2)29-21-12-18-19(13-24-21)25-26-22(18)17-5-6-23-20(11-17)28-9-7-27(8-10-28)14-16-3-4-16;1-4-17-25-26-19-12-28(7-8-29(17)19)18-9-14(5-6-22-18)21-15-10-20(30-13(2)3)23-11-16(15)24-27-21;1-12(2)28-20-9-15-17(10-23-20)25-26-21(15)14-4-6-22-19(8-14)27-7-5-16-18(11-27)29-13(3)24-16;1-12(2)27-17-10-14-15(11-23-17)24-25-18(14)13-3-6-22-16(9-13)26-7-4-19(20,21)5-8-26;1-12(2)26-17-9-14-15(10-21-17)22-23-18(14)13-4-6-20-16(8-13)24-7-5-19(3,25)11-24/h5,7,9-11,13-14H,3-4,6,8,12H2,1-2H3,(H,27,28);5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,25,26);5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,24,27);4,6,8-10,12H,5,7,11H2,1-3H3,(H,25,26);3,6,9-12H,4-5,7-8H2,1-2H3,(H,24,25);4,6,8-10,12,25H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyHBGSJBYIHKIXIK-UHFFFAOYSA-N
XLogP21.03
TPSA507.82 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002330.75
LogP ≤ 521.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157405004
N-[2-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide;N-[3-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]-2-methylpropanamide;N-[3-[[5-[3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide;N-[3-[[5-[3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide
CID 157597360
bis(1-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine);2,2-difluoro-1-[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]ethanone;[4-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;5-propan-2-yloxy-3-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 157721097
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
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;N-[(2R)-butan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-(2-methoxyethyl)-4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 157998189
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-propan-2-yl-1,3,5-triazine-2-carboxamide;(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;(3-hydroxyazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 158262665
(1S,5R)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158274742
cyclopropyl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone;6-phenoxy-3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;6-phenoxy-3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 158554525
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
CID 158938763
CID 158938763
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-[3-fluoro-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;4-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;(3S)-1-[2-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]-4-hydroxy-3-methylbutan-1-one
CID 159164436
2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 159235343

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 158427812) is 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol is CC(C)Oc1cc2c(-c3ccnc(N4CCC(C)(O)C4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCC(F)(F)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCN(CC5CC5)CC4)c3)n[nH]c2cn1.CC(C)Oc1cc2c(-c3ccnc(N4CCc5nc(C6CC6)oc5C4)c3)n[nH]c2cn1.CCc1nnc2n1CCN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)C2.Cc1nc2c(o1)CN(c1cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn1)CC2.
What is the InChIKey of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is HBGSJBYIHKIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C22H28N6O.C21H24N8O.C21H22N6O2.C19H21F2N5O.C19H23N5O2/c1-13(2)30-21-10-16-18(11-25-21)27-28-22(16)15-5-7-24-20(9-15)29-8-6-17-19(12-29)31-23(26-17)14-3-4-14;1-15(2)29-21-12-18-19(13-24-21)25-26-22(18)17-5-6-23-20(11-17)28-9-7-27(8-10-28)14-16-3-4-16;1-4-17-25-26-19-12-28(7-8-29(17)19)18-9-14(5-6-22-18)21-15-10-20(30-13(2)3)23-11-16(15)24-27-21;1-12(2)28-20-9-15-17(10-23-20)25-26-21(15)14-4-6-22-19(8-14)27-7-5-16-18(11-27)29-13(3)24-16;1-12(2)27-17-10-14-15(11-23-17)24-25-18(14)13-3-6-22-16(9-13)26-7-4-19(20,21)5-8-26;1-12(2)26-17-9-14-15(10-21-17)22-23-18(14)13-4-6-20-16(8-13)24-7-5-19(3,25)11-24/h5,7,9-11,13-14H,3-4,6,8,12H2,1-2H3,(H,27,28);5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,25,26);5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,24,27);4,6,8-10,12H,5,7,11H2,1-3H3,(H,25,26);3,6,9-12H,4-5,7-8H2,1-2H3,(H,24,25);4,6,8-10,12,25H,5,7,11H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol?
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 2330.75 g/mol, XLogP of 21.03, 28 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;2-cyclopropyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine;3-ethyl-7-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-methyl-1-[4-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 158427812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).