tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride

C159H221ClN26O31Si — CID 165052829

IUPACtert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride
SMILESCCC1(COC(=O)c2ccccc2)CC1.CN(C(=O)OC(C)(C)C)C1(CO)CC1.CN(C(=O)OC(C)(C)C)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(CO)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CNCC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1nn(COCC[Si](C)(C)C)c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)OC(C)(C)C)C3.CN1C(=O)c2c3c(nn2CC12CC2)CCNC3.Cl
InChIInChI=1S/C30H44N4O6Si.C24H30N4O5.C19H22N4O3.C17H26N4O4.C17H24N4O3.C17H23NO4.C13H16O2.C12H16N4O.C10H19NO3.ClH/c1-29(2,3)40-28(37)33-16-13-24-23(19-33)25(31-34(24)21-38-17-18-41(5,6)7)26(35)32(4)30(14-15-30)20-39-27(36)22-11-9-8-10-12-22;1-23(2,3)33-22(31)28-13-10-18-17(14-28)19(26-25-18)20(29)27(4)24(11-12-24)15-32-21(30)16-8-6-5-7-9-16;1-23(17(24)16-14-11-20-10-7-15(14)21-22-16)19(8-9-19)12-26-18(25)13-5-3-2-4-6-13;1-16(2,3)25-15(24)21-8-5-12-11(9-21)13(19-18-12)14(23)20(4)17(10-22)6-7-17;1-16(2,3)24-15(23)20-8-5-12-11(9-20)13-14(22)19(4)17(6-7-17)10-21(13)18-12;1-16(2,3)22-15(20)18(4)17(10-11-17)12-21-14(19)13-8-6-5-7-9-13;1-2-13(8-9-13)10-15-12(14)11-6-4-3-5-7-11;1-15-11(17)10-8-6-13-5-2-9(8)14-16(10)7-12(15)3-4-12;1-9(2,3)14-8(13)11(4)10(7-12)5-6-10;/h8-12H,13-21H2,1-7H3;5-9H,10-15H2,1-4H3,(H,25,26);2-6,20H,7-12H2,1H3,(H,21,22);22H,5-10H2,1-4H3,(H,18,19);5-10H2,1-4H3;5-9H,10-12H2,1-4H3;3-7H,2,8-10H2,1H3;13H,2-7H2,1H3;12H,5-7H2,1-4H3;1H
InChIKeyFKJKXKYCGPAVDK-UHFFFAOYSA-N
MW3056.21 g/mol
LogP20.95
Rot. Bonds33

About tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride

tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride (PubChem CID 165052829) has the molecular formula C159H221ClN26O31Si and a molecular weight of 3056.21 g/mol. Its IUPAC name is tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride
PubChem CID165052829
Molecular FormulaC159H221ClN26O31Si
Molecular Weight3056.21 g/mol
Exact Mass3053.60
IUPAC Nametert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride
SMILESCCC1(COC(=O)c2ccccc2)CC1.CN(C(=O)OC(C)(C)C)C1(CO)CC1.CN(C(=O)OC(C)(C)C)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(CO)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CNCC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1nn(COCC[Si](C)(C)C)c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)OC(C)(C)C)C3.CN1C(=O)c2c3c(nn2CC12CC2)CCNC3.Cl
InChIInChI=1S/C30H44N4O6Si.C24H30N4O5.C19H22N4O3.C17H26N4O4.C17H24N4O3.C17H23NO4.C13H16O2.C12H16N4O.C10H19NO3.ClH/c1-29(2,3)40-28(37)33-16-13-24-23(19-33)25(31-34(24)21-38-17-18-41(5,6)7)26(35)32(4)30(14-15-30)20-39-27(36)22-11-9-8-10-12-22;1-23(2,3)33-22(31)28-13-10-18-17(14-28)19(26-25-18)20(29)27(4)24(11-12-24)15-32-21(30)16-8-6-5-7-9-16;1-23(17(24)16-14-11-20-10-7-15(14)21-22-16)19(8-9-19)12-26-18(25)13-5-3-2-4-6-13;1-16(2,3)25-15(24)21-8-5-12-11(9-21)13(19-18-12)14(23)20(4)17(10-22)6-7-17;1-16(2,3)24-15(23)20-8-5-12-11(9-20)13-14(22)19(4)17(6-7-17)10-21(13)18-12;1-16(2,3)22-15(20)18(4)17(10-11-17)12-21-14(19)13-8-6-5-7-9-13;1-2-13(8-9-13)10-15-12(14)11-6-4-3-5-7-11;1-15-11(17)10-8-6-13-5-2-9(8)14-16(10)7-12(15)3-4-12;1-9(2,3)14-8(13)11(4)10(7-12)5-6-10;/h8-12H,13-21H2,1-7H3;5-9H,10-15H2,1-4H3,(H,25,26);2-6,20H,7-12H2,1H3,(H,21,22);22H,5-10H2,1-4H3,(H,18,19);5-10H2,1-4H3;5-9H,10-12H2,1-4H3;3-7H,2,8-10H2,1H3;13H,2-7H2,1H3;12H,5-7H2,1-4H3;1H
InChIKeyFKJKXKYCGPAVDK-UHFFFAOYSA-N
XLogP20.95
TPSA643.85 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003056.21
LogP ≤ 520.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride with MolForge

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Related Compounds

benzyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 2-O-tert-butyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;benzyl (1R,3S,5R)-2-[2-(3-carbamoylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;bromomethylbenzene;2-(3-carbamoylindazol-1-yl)acetic acid;(1R,3S,5R)-2-[2-(3-carbamoylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 161312192
benzyl (1R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylate;3-O-benzyl 2-O-tert-butyl (1R,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate;benzyl (1R,5R)-2-[2-(3-carbamoylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;bromomethylbenzene;2-(3-carbamoylindazol-1-yl)acetic acid;(1R,5R)-2-[2-(3-carbamoylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 161312193
tert-butyl 3-(2-ethoxy-1-hydroxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate;5-O-tert-butyl 3-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate;tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 165078821
tert-butyl 3-(2-ethoxy-1-hydroxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate;5-O-tert-butyl 3-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate;tert-butyl 3-ethyl-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbon dioxide;5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 176535422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride?
The IUPAC name of tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride (CID 165052829) is tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride.
What is the SMILES notation for tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride?
The canonical SMILES for tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride is CCC1(COC(=O)c2ccccc2)CC1.CN(C(=O)OC(C)(C)C)C1(CO)CC1.CN(C(=O)OC(C)(C)C)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(CO)CC1.CN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1n[nH]c2c1CNCC2)C1(COC(=O)c2ccccc2)CC1.CN(C(=O)c1nn(COCC[Si](C)(C)C)c2c1CN(C(=O)OC(C)(C)C)CC2)C1(COC(=O)c2ccccc2)CC1.CN1C(=O)c2c3c(nn2CC12CC2)CCN(C(=O)OC(C)(C)C)C3.CN1C(=O)c2c3c(nn2CC12CC2)CCNC3.Cl.
What is the InChIKey of tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride?
The InChIKey is FKJKXKYCGPAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O6Si.C24H30N4O5.C19H22N4O3.C17H26N4O4.C17H24N4O3.C17H23NO4.C13H16O2.C12H16N4O.C10H19NO3.ClH/c1-29(2,3)40-28(37)33-16-13-24-23(19-33)25(31-34(24)21-38-17-18-41(5,6)7)26(35)32(4)30(14-15-30)20-39-27(36)22-11-9-8-10-12-22;1-23(2,3)33-22(31)28-13-10-18-17(14-28)19(26-25-18)20(29)27(4)24(11-12-24)15-32-21(30)16-8-6-5-7-9-16;1-23(17(24)16-14-11-20-10-7-15(14)21-22-16)19(8-9-19)12-26-18(25)13-5-3-2-4-6-13;1-16(2,3)25-15(24)21-8-5-12-11(9-21)13(19-18-12)14(23)20(4)17(10-22)6-7-17;1-16(2,3)24-15(23)20-8-5-12-11(9-20)13-14(22)19(4)17(6-7-17)10-21(13)18-12;1-16(2,3)22-15(20)18(4)17(10-11-17)12-21-14(19)13-8-6-5-7-9-13;1-2-13(8-9-13)10-15-12(14)11-6-4-3-5-7-11;1-15-11(17)10-8-6-13-5-2-9(8)14-16(10)7-12(15)3-4-12;1-9(2,3)14-8(13)11(4)10(7-12)5-6-10;/h8-12H,13-21H2,1-7H3;5-9H,10-15H2,1-4H3,(H,25,26);2-6,20H,7-12H2,1H3,(H,21,22);22H,5-10H2,1-4H3,(H,18,19);5-10H2,1-4H3;5-9H,10-12H2,1-4H3;3-7H,2,8-10H2,1H3;13H,2-7H2,1H3;12H,5-7H2,1-4H3;1H.
What are the key properties of tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride?
tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride has a molecular weight of 3056.21 g/mol, XLogP of 20.95, 33 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[[1-(benzoyloxymethyl)cyclopropyl]-methylcarbamoyl]-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl N-[1-(hydroxymethyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]-methylcarbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxylate;(1-ethylcyclopropyl)methyl benzoate;[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methyl benzoate;4-methylspiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-3-one;[1-[methyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride is sourced from PubChem (CID 165052829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).