2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane

C151H190N28O13 — CID 158519037

IUPAC2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane
SMILESC.C.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCC(CC)CC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CN)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C31H41N5O4.C30H39N5O4.C27H33N5O.C24H28N6O.C19H22N4O.C18H19N3O2.2CH4/c1-7-26-25(28-33-19(2)16-20(3)36(28)35-26)17-21-8-10-22(11-9-21)27(37)18-32-29(38)23-12-14-24(15-13-23)34-30(39)40-31(4,5)6;1-7-25-24(27-32-19(2)16-20(3)35(27)33-25)17-21-8-10-22(11-9-21)26(36)18-31-28(37)23-12-14-34(15-13-23)29(38)39-30(4,5)6;1-5-19-7-11-21(12-8-19)26-29-30-27(33-26)22-13-9-20(10-14-22)16-23-24(6-2)31-32-18(4)15-17(3)28-25(23)32;1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19;1-4-17-16(19-21-12(2)9-13(3)23(19)22-17)10-14-5-7-15(8-6-14)18(24)11-20;1-4-16-15(10-13-5-7-14(8-6-13)18(22)23)17-19-11(2)9-12(3)21(17)20-16;;/h8-11,16,23-24H,7,12-15,17-18H2,1-6H3,(H,32,38)(H,34,39);8-11,16,23H,7,12-15,17-18H2,1-6H3,(H,31,37);9-10,13-15,19,21H,5-8,11-12,16H2,1-4H3;5-8,13,19,25H,4,9-12,14H2,1-3H3;5-9H,4,10-11,20H2,1-3H3;5-9H,4,10H2,1-3H3,(H,22,23);2*1H4
InChIKeyHLZJCSNROCCZJJ-UHFFFAOYSA-N
MW2605.36 g/mol
LogP26.69
Rot. Bonds35

About 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane

2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane (PubChem CID 158519037) has the molecular formula C151H190N28O13 and a molecular weight of 2605.36 g/mol. Its IUPAC name is 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane.

Molecular Properties

Compound Name2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane
PubChem CID158519037
Molecular FormulaC151H190N28O13
Molecular Weight2605.36 g/mol
Exact Mass2603.51
IUPAC Name2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane
SMILESC.C.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCC(CC)CC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CN)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C31H41N5O4.C30H39N5O4.C27H33N5O.C24H28N6O.C19H22N4O.C18H19N3O2.2CH4/c1-7-26-25(28-33-19(2)16-20(3)36(28)35-26)17-21-8-10-22(11-9-21)27(37)18-32-29(38)23-12-14-24(15-13-23)34-30(39)40-31(4,5)6;1-7-25-24(27-32-19(2)16-20(3)35(27)33-25)17-21-8-10-22(11-9-21)26(36)18-31-28(37)23-12-14-34(15-13-23)29(38)39-30(4,5)6;1-5-19-7-11-21(12-8-19)26-29-30-27(33-26)22-13-9-20(10-14-22)16-23-24(6-2)31-32-18(4)15-17(3)28-25(23)32;1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19;1-4-17-16(19-21-12(2)9-13(3)23(19)22-17)10-14-5-7-15(8-6-14)18(24)11-20;1-4-16-15(10-13-5-7-14(8-6-13)18(22)23)17-19-11(2)9-12(3)21(17)20-16;;/h8-11,16,23-24H,7,12-15,17-18H2,1-6H3,(H,32,38)(H,34,39);8-11,16,23H,7,12-15,17-18H2,1-6H3,(H,31,37);9-10,13-15,19,21H,5-8,11-12,16H2,1-4H3;5-8,13,19,25H,4,9-12,14H2,1-3H3;5-9H,4,10-11,20H2,1-3H3;5-9H,4,10H2,1-3H3,(H,22,23);2*1H4
InChIKeyHLZJCSNROCCZJJ-UHFFFAOYSA-N
XLogP26.69
TPSA511.61 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002605.36
LogP ≤ 526.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane with MolForge

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Related Compounds

sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aS,7aR)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 162117661
2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate
CID 123658310
2-[7-(4-aminopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;tert-butyl N-cyclohexylcarbamate;tert-butyl N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate;2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 157964977
Tert-butyl 4-aminobenzoate;tert-butyl 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoate;3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid;4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 158787567
4-(1-Ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
CID 159126336
6-[3-[[butyl(methyl)amino]methyl]phenyl]-N-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;tert-butyl N-methyl-N-[2-[methyl-[[3-[4-(oxan-4-ylcarbamoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]amino]ethyl]carbamate;6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-N-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[3-[[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid;oxan-4-amine
CID 159147772
6-(azepan-1-yl)-N'-(cyclohexanecarbonyl)-1-methylpyrazolo[5,4-b]pyridine-3-carbohydrazide;6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-cyclohexyl-1,3,4-oxadiazole;2-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole;benzyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
CID 159315348
CID 159322515
CID 159322515
2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 159897812
2-Benzofuran-1,3-dione;1-[[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]methyl]piperidin-4-amine;2-[[1-[[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]methyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 160854998
tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 162205754
2,4-Bis[4-[5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-1,5-bis(methylamino)pentan-3-one
CID 175280950

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane?
The IUPAC name of 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane (CID 158519037) is 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane.
What is the SMILES notation for 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane?
The canonical SMILES for 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane is C.C.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCC(CC)CC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CN)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1nn2c(C)cc(C)nc2c1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane?
The InChIKey is HLZJCSNROCCZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O4.C30H39N5O4.C27H33N5O.C24H28N6O.C19H22N4O.C18H19N3O2.2CH4/c1-7-26-25(28-33-19(2)16-20(3)36(28)35-26)17-21-8-10-22(11-9-21)27(37)18-32-29(38)23-12-14-24(15-13-23)34-30(39)40-31(4,5)6;1-7-25-24(27-32-19(2)16-20(3)35(27)33-25)17-21-8-10-22(11-9-21)26(36)18-31-28(37)23-12-14-34(15-13-23)29(38)39-30(4,5)6;1-5-19-7-11-21(12-8-19)26-29-30-27(33-26)22-13-9-20(10-14-22)16-23-24(6-2)31-32-18(4)15-17(3)28-25(23)32;1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19;1-4-17-16(19-21-12(2)9-13(3)23(19)22-17)10-14-5-7-15(8-6-14)18(24)11-20;1-4-16-15(10-13-5-7-14(8-6-13)18(22)23)17-19-11(2)9-12(3)21(17)20-16;;/h8-11,16,23-24H,7,12-15,17-18H2,1-6H3,(H,32,38)(H,34,39);8-11,16,23H,7,12-15,17-18H2,1-6H3,(H,31,37);9-10,13-15,19,21H,5-8,11-12,16H2,1-4H3;5-8,13,19,25H,4,9-12,14H2,1-3H3;5-9H,4,10-11,20H2,1-3H3;5-9H,4,10H2,1-3H3,(H,22,23);2*1H4.
What are the key properties of 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane?
2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane has a molecular weight of 2605.36 g/mol, XLogP of 26.69, 35 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethanone;tert-butyl N-[4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]cyclohexyl]carbamate;tert-butyl 4-[[2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate;2-(4-ethylcyclohexyl)-5-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1,3,4-oxadiazole;4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzoic acid;2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole;methane is sourced from PubChem (CID 158519037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).