2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C88H98BBr3F4N18O8 — CID 158605381

IUPAC2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)nn2c1C.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccc(F)cc3F)nn12.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(Br)nn12.Cc1c(C(=O)O)cnc2cc(Br)nn12.NCCC1CCN(Cc2ccccc2)CC1.OB(O)c1ccc(F)cc1F
InChIInChI=1S/C28H29F2N5O.C22H26BrN5O.C14H22N2.C10H10BrN3O2.C8H6BrN3O2.C6H5BF2O2/c1-19-24(17-32-27-16-26(33-35(19)27)23-8-7-22(29)15-25(23)30)28(36)31-12-9-20-10-13-34(14-11-20)18-21-5-3-2-4-6-21;1-16-19(14-25-21-13-20(23)26-28(16)21)22(29)24-10-7-17-8-11-27(12-9-17)15-18-5-3-2-4-6-18;15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;1-3-16-10(15)7-5-12-9-4-8(11)13-14(9)6(7)2;1-4-5(8(13)14)3-10-7-2-6(9)11-12(4)7;8-4-1-2-5(7(10)11)6(9)3-4/h2-8,15-17,20H,9-14,18H2,1H3,(H,31,36);2-6,13-14,17H,7-12,15H2,1H3,(H,24,29);1-5,13H,6-12,15H2;4-5H,3H2,1-2H3;2-3H,1H3,(H,13,14);1-3,10-11H
InChIKeyHWDQXSMLJHKGJM-UHFFFAOYSA-N
MW1862.39 g/mol
LogP14.21
Rot. Bonds21

About 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 158605381) has the molecular formula C88H98BBr3F4N18O8 and a molecular weight of 1862.39 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID158605381
Molecular FormulaC88H98BBr3F4N18O8
Molecular Weight1862.39 g/mol
Exact Mass1858.54
IUPAC Name2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)nn2c1C.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccc(F)cc3F)nn12.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(Br)nn12.Cc1c(C(=O)O)cnc2cc(Br)nn12.NCCC1CCN(Cc2ccccc2)CC1.OB(O)c1ccc(F)cc1F
InChIInChI=1S/C28H29F2N5O.C22H26BrN5O.C14H22N2.C10H10BrN3O2.C8H6BrN3O2.C6H5BF2O2/c1-19-24(17-32-27-16-26(33-35(19)27)23-8-7-22(29)15-25(23)30)28(36)31-12-9-20-10-13-34(14-11-20)18-21-5-3-2-4-6-21;1-16-19(14-25-21-13-20(23)26-28(16)21)22(29)24-10-7-17-8-11-27(12-9-17)15-18-5-3-2-4-6-18;15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;1-3-16-10(15)7-5-12-9-4-8(11)13-14(9)6(7)2;1-4-5(8(13)14)3-10-7-2-6(9)11-12(4)7;8-4-1-2-5(7(10)11)6(9)3-4/h2-8,15-17,20H,9-14,18H2,1H3,(H,31,36);2-6,13-14,17H,7-12,15H2,1H3,(H,24,29);1-5,13H,6-12,15H2;4-5H,3H2,1-2H3;2-3H,1H3,(H,13,14);1-3,10-11H
InChIKeyHWDQXSMLJHKGJM-UHFFFAOYSA-N
XLogP14.21
TPSA318.76 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001862.39
LogP ≤ 514.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;5-bromo-1H-pyrazol-3-amine;N,N-dihydroxy-3-(trifluoromethyl)aniline;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate;ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxopentanoate;7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 157877541
2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylic acid;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylate
CID 158738681
[4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-4-yl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[7-amino-5-[1-(4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 159501465
tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate;tert-butyl 4-[2-[[7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]ethyl]piperidine-1-carboxylate;7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;7-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;pyridine-3-carbaldehyde
CID 159996457
CID 160931623
CID 160931623
2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylic acid;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylic acid;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylate;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylate
CID 161348023
2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylic acid;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylic acid;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylate;ethyl 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-4-methylpyrimidine-5-carboxylate
CID 162007290
2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162128888
tert-butyl (3R)-3-[8-bromo-5-(dimethylaminomethylideneamino)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[5-(dimethylaminomethylideneamino)-8-(2-hydroxypropan-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]piperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;methyl 5-(dimethylaminomethylideneamino)-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate;oxolane;bis(7-phenyl-2-[(3R)-piperidin-3-yl]-8-prop-1-en-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);7-phenyl-8-prop-1-en-2-yl-2-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2,2,2-trifluoroethyl trifluoromethanesulfonate
CID 163441439
2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;5-bromo-1H-pyrazol-3-amine;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate;ethyl (3Z)-3-(dimethylaminomethylidene)-4-oxopentanoate;7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;[3-(trifluoromethyl)phenyl]boronic acid
CID 163616874
lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
CID 157169413
(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[7-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157447043

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 158605381) is 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(Br)nn2c1C.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(-c3ccc(F)cc3F)nn12.Cc1c(C(=O)NCCC2CCN(Cc3ccccc3)CC2)cnc2cc(Br)nn12.Cc1c(C(=O)O)cnc2cc(Br)nn12.NCCC1CCN(Cc2ccccc2)CC1.OB(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is HWDQXSMLJHKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O.C22H26BrN5O.C14H22N2.C10H10BrN3O2.C8H6BrN3O2.C6H5BF2O2/c1-19-24(17-32-27-16-26(33-35(19)27)23-8-7-22(29)15-25(23)30)28(36)31-12-9-20-10-13-34(14-11-20)18-21-5-3-2-4-6-21;1-16-19(14-25-21-13-20(23)26-28(16)21)22(29)24-10-7-17-8-11-27(12-9-17)15-18-5-3-2-4-6-18;15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;1-3-16-10(15)7-5-12-9-4-8(11)13-14(9)6(7)2;1-4-5(8(13)14)3-10-7-2-6(9)11-12(4)7;8-4-1-2-5(7(10)11)6(9)3-4/h2-8,15-17,20H,9-14,18H2,1H3,(H,31,36);2-6,13-14,17H,7-12,15H2,1H3,(H,24,29);1-5,13H,6-12,15H2;4-5H,3H2,1-2H3;2-3H,1H3,(H,13,14);1-3,10-11H.
What are the key properties of 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 1862.39 g/mol, XLogP of 14.21, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 158605381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).