(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride

C116H190Cl4N18O8 — CID 158898031

IUPAC(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride
SMILESCC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C.CC(C)CN[C@H](C)C(C)C.CC(C)[C@@H](C)N.CC(C)[C@@H](C)NCc1ccccc1.CCOC(=O)c1cc2nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n2n1.COC(=O)CC1[C@H]2CN(C(=O)c3cc4nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n4n3)C[C@@H]12.Cl
InChIInChI=1S/C24H34ClN5O3.C18H27ClN4O2.C16H23ClN4O2.C16H25NO.C16H27N.C12H19N.C9H21N.C5H13N.ClH/c1-13(2)10-29(15(5)14(3)4)22-9-20(25)26-21-8-19(27-30(21)22)24(32)28-11-17-16(18(17)12-28)7-23(31)33-6;1-7-25-18(24)14-8-16-20-15(19)9-17(23(16)21-14)22(10-11(2)3)13(6)12(4)5;1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15;1-12(2)14(5)17(16(18)13(3)4)11-15-9-7-6-8-10-15;1-13(2)11-17(15(5)14(3)4)12-16-9-7-6-8-10-16;1-10(2)11(3)13-9-12-7-5-4-6-8-12;1-7(2)6-10-9(5)8(3)4;1-4(2)5(3)6;/h8-9,13-18H,7,10-12H2,1-6H3;8-9,11-13H,7,10H2,1-6H3;6-7,9-11H,8H2,1-5H3,(H,22,23);6-10,12-14H,11H2,1-5H3;6-10,13-15H,11-12H2,1-5H3;4-8,10-11,13H,9H2,1-3H3;7-10H,6H2,1-5H3;4-5H,6H2,1-3H3;1H/t15-,16?,17-,18+;13-;11-;14-;15-;11-;9-;5-;/m11111111./s1
InChIKeyKFLKHYAHKLPKSZ-TXXXSWBKSA-N
MW2106.73 g/mol
LogP25.84
Rot. Bonds41

About (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride

(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride (PubChem CID 158898031) has the molecular formula C116H190Cl4N18O8 and a molecular weight of 2106.73 g/mol. Its IUPAC name is (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride
PubChem CID158898031
Molecular FormulaC116H190Cl4N18O8
Molecular Weight2106.73 g/mol
Exact Mass2103.38
IUPAC Name(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride
SMILESCC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C.CC(C)CN[C@H](C)C(C)C.CC(C)[C@@H](C)N.CC(C)[C@@H](C)NCc1ccccc1.CCOC(=O)c1cc2nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n2n1.COC(=O)CC1[C@H]2CN(C(=O)c3cc4nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n4n3)C[C@@H]12.Cl
InChIInChI=1S/C24H34ClN5O3.C18H27ClN4O2.C16H23ClN4O2.C16H25NO.C16H27N.C12H19N.C9H21N.C5H13N.ClH/c1-13(2)10-29(15(5)14(3)4)22-9-20(25)26-21-8-19(27-30(21)22)24(32)28-11-17-16(18(17)12-28)7-23(31)33-6;1-7-25-18(24)14-8-16-20-15(19)9-17(23(16)21-14)22(10-11(2)3)13(6)12(4)5;1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15;1-12(2)14(5)17(16(18)13(3)4)11-15-9-7-6-8-10-15;1-13(2)11-17(15(5)14(3)4)12-16-9-7-6-8-10-16;1-10(2)11(3)13-9-12-7-5-4-6-8-12;1-7(2)6-10-9(5)8(3)4;1-4(2)5(3)6;/h8-9,13-18H,7,10-12H2,1-6H3;8-9,11-13H,7,10H2,1-6H3;6-7,9-11H,8H2,1-5H3,(H,22,23);6-10,12-14H,11H2,1-5H3;6-10,13-15H,11-12H2,1-5H3;4-8,10-11,13H,9H2,1-3H3;7-10H,6H2,1-5H3;4-5H,6H2,1-3H3;1H/t15-,16?,17-,18+;13-;11-;14-;15-;11-;9-;5-;/m11111111./s1
InChIKeyKFLKHYAHKLPKSZ-TXXXSWBKSA-N
XLogP25.84
TPSA284.13 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.73
LogP ≤ 525.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride with MolForge

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Related Compounds

5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 172956882
4-Chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 157293176
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 157431744
5-chloro-7-[[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(1R,5S)-3-[5-chloro-7-[2-methylpropyl-[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;ethyl 2-[(1S,5R)-3-[5-chloro-7-[[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;ethyl 5-chloro-7-[[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 2-[(1S,5R)-3-[7-[2-methylpropyl-[(1S)-1-phenylethyl]amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 157544609
ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;iodomethane;7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;(3R)-3-[methyl-[7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]butanoic acid;methyl (3R)-3-[methyl-[7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]butanoate
CID 157951821
ethyl 12-chloro-10-[(3S)-3-methylmorpholin-4-yl]-5,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene-4-carboxylate;ethyl 10,12-dichloro-5,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene-4-carboxylate;ethyl 12-[4-(ethylcarbamoylamino)phenyl]-10-[(3S)-3-methylmorpholin-4-yl]-5,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene-4-carboxylate;methane
CID 158415267
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;tert-butyl (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158436093
5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 158585675
CID 159074785
CID 159074785
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 159227884
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 159327407
Ethyl 4-(4-morpholin-4-ylphenyl)-1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 159852873

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride?
The IUPAC name of (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride (CID 158898031) is (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride?
The canonical SMILES for (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride is CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(Cc1ccccc1)[C@H](C)C(C)C.CC(C)CN(c1cc(Cl)nc2cc(C(=O)O)nn12)[C@H](C)C(C)C.CC(C)CN[C@H](C)C(C)C.CC(C)[C@@H](C)N.CC(C)[C@@H](C)NCc1ccccc1.CCOC(=O)c1cc2nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n2n1.COC(=O)CC1[C@H]2CN(C(=O)c3cc4nc(Cl)cc(N(CC(C)C)[C@H](C)C(C)C)n4n3)C[C@@H]12.Cl.
What is the InChIKey of (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride?
The InChIKey is KFLKHYAHKLPKSZ-TXXXSWBKSA-N. The full InChI is InChI=1S/C24H34ClN5O3.C18H27ClN4O2.C16H23ClN4O2.C16H25NO.C16H27N.C12H19N.C9H21N.C5H13N.ClH/c1-13(2)10-29(15(5)14(3)4)22-9-20(25)26-21-8-19(27-30(21)22)24(32)28-11-17-16(18(17)12-28)7-23(31)33-6;1-7-25-18(24)14-8-16-20-15(19)9-17(23(16)21-14)22(10-11(2)3)13(6)12(4)5;1-9(2)8-20(11(5)10(3)4)15-7-13(17)18-14-6-12(16(22)23)19-21(14)15;1-12(2)14(5)17(16(18)13(3)4)11-15-9-7-6-8-10-15;1-13(2)11-17(15(5)14(3)4)12-16-9-7-6-8-10-16;1-10(2)11(3)13-9-12-7-5-4-6-8-12;1-7(2)6-10-9(5)8(3)4;1-4(2)5(3)6;/h8-9,13-18H,7,10-12H2,1-6H3;8-9,11-13H,7,10H2,1-6H3;6-7,9-11H,8H2,1-5H3,(H,22,23);6-10,12-14H,11H2,1-5H3;6-10,13-15H,11-12H2,1-5H3;4-8,10-11,13H,9H2,1-3H3;7-10H,6H2,1-5H3;4-5H,6H2,1-3H3;1H/t15-,16?,17-,18+;13-;11-;14-;15-;11-;9-;5-;/m11111111./s1.
What are the key properties of (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride?
(2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride has a molecular weight of 2106.73 g/mol, XLogP of 25.84, 41 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-3-methylbutan-2-amine;N-benzyl-2-methyl-N-[(2R)-3-methylbutan-2-yl]propanamide;(2R)-N-benzyl-3-methyl-N-(2-methylpropyl)butan-2-amine;5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate;(2R)-3-methylbutan-2-amine;methyl 2-[(1R,5S)-3-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]-(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate;(2R)-3-methyl-N-(2-methylpropyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 158898031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).