8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

C196H231Cl2N31O29 — CID 172949552

IUPAC8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2ccccc12.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C25H27NO2.C24H20N4O2.C21H29NO5.C20H25N3O.C16H11Cl2N3O2.C16H24N4O3.C16H20N4O2.C16H20N2O5.C15H20N2O4.C14H18N2O.C13H17N5O2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);9-11,16-17H,5-8,12-13H2,1-4H3;4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;7-8H,1-6H2,(H3,14,15,16)/b;;;;;;;;17-10+;;/t23-;22-;17-,21-;;;;;;;;/m000......../s1
InChIKeyYHFXOKXWSQJBRZ-CWSINJKKSA-N
MW3556.10 g/mol
LogP33.04
Rot. Bonds50

About 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (PubChem CID 172949552) has the molecular formula C196H231Cl2N31O29 and a molecular weight of 3556.10 g/mol. Its IUPAC name is 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
PubChem CID172949552
Molecular FormulaC196H231Cl2N31O29
Molecular Weight3556.10 g/mol
Exact Mass3552.69
IUPAC Name8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2ccccc12.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C25H27NO2.C24H20N4O2.C21H29NO5.C20H25N3O.C16H11Cl2N3O2.C16H24N4O3.C16H20N4O2.C16H20N2O5.C15H20N2O4.C14H18N2O.C13H17N5O2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);9-11,16-17H,5-8,12-13H2,1-4H3;4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;7-8H,1-6H2,(H3,14,15,16)/b;;;;;;;;17-10+;;/t23-;22-;17-,21-;;;;;;;;/m000......../s1
InChIKeyYHFXOKXWSQJBRZ-CWSINJKKSA-N
XLogP33.04
TPSA719.22 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds50
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003556.10
LogP ≤ 533.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one with MolForge

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Related Compounds

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;N-(2,5-dichlorophenyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
CID 157994673
CID 159497963
CID 159497963
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
CID 159706608
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;N-(9-cyclohexyl-6-methyl-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[5-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-4-hydroxycyclohexa-2,4-dien-1-yl]-5,7-dihydroxychromen-4-one;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
CID 172937494
CID 172943437
CID 172943437
CID 172949848
CID 172949848
3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
CID 172951423

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (CID 172949552) is 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.
What is the InChIKey of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The InChIKey is YHFXOKXWSQJBRZ-CWSINJKKSA-N. The full InChI is InChI=1S/C25H27NO2.C24H20N4O2.C21H29NO5.C20H25N3O.C16H11Cl2N3O2.C16H24N4O3.C16H20N4O2.C16H20N2O5.C15H20N2O4.C14H18N2O.C13H17N5O2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);9-11,16-17H,5-8,12-13H2,1-4H3;4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;7-8H,1-6H2,(H3,14,15,16)/b;;;;;;;;17-10+;;/t23-;22-;17-,21-;;;;;;;;/m000......../s1.
What are the key properties of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one has a molecular weight of 3556.10 g/mol, XLogP of 33.04, 50 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 172949552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).