7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

C74H81BClN21O5 — CID 161250267

IUPAC7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(N)=O)c3n2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C25H25N7O.C18H19N7O.C16H23BN2O2.C15H14ClN5O/c1-16(2)31-15-20(18-10-7-11-27-24(18)31)21-12-22(30(3)14-17-8-5-4-6-9-17)32-25(29-21)19(13-28-32)23(26)33;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26;1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-20(9-10-5-3-2-4-6-10)13-7-12(16)19-15-11(14(17)22)8-18-21(13)15/h4-13,15-16H,14H2,1-3H3,(H2,26,33);4-10,20H,1-3H3,(H2,19,26);7-11H,1-6H3;2-8H,9H2,1H3,(H2,17,22)
InChIKeyVBEFDRKUKYPSJO-UHFFFAOYSA-N
MW1390.87 g/mol
LogP11.56
Rot. Bonds16

About 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 161250267) has the molecular formula C74H81BClN21O5 and a molecular weight of 1390.87 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
PubChem CID161250267
Molecular FormulaC74H81BClN21O5
Molecular Weight1390.87 g/mol
Exact Mass1389.65
IUPAC Name7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(N)=O)c3n2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C25H25N7O.C18H19N7O.C16H23BN2O2.C15H14ClN5O/c1-16(2)31-15-20(18-10-7-11-27-24(18)31)21-12-22(30(3)14-17-8-5-4-6-9-17)32-25(29-21)19(13-28-32)23(26)33;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26;1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-20(9-10-5-3-2-4-6-10)13-7-12(16)19-15-11(14(17)22)8-18-21(13)15/h4-13,15-16H,14H2,1-3H3,(H2,26,33);4-10,20H,1-3H3,(H2,19,26);7-11H,1-6H3;2-8H,9H2,1H3,(H2,17,22)
InChIKeyVBEFDRKUKYPSJO-UHFFFAOYSA-N
XLogP11.56
TPSA310.27 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.87
LogP ≤ 511.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-amino-6-chloro-N-(4-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157592250
1-[2-amino-5-[2-(2,5-difluorophenyl)-4,4-difluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(1-[2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone);1-[2-amino-5-[(2S,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 158423334
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-imidazo[1,2-a]pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160083809
5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone;5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 160378624
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(2-fluoro-5-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163546851
N-[(1S)-1-cyclopropylethyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163601114
5-(6-chloro-2-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163671278
5-(2-chloro-3-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-3-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163714522
5-(5-chloro-3-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-3-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(2-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(2-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(2-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163794143
5-(5-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163934516
N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167565769

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (CID 161250267) is 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is CC(C)n1cc(-c2cc(N(C)Cc3ccccc3)n3ncc(C(N)=O)c3n2)c2cccnc21.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21.CN(Cc1ccccc1)c1cc(Cl)nc2c(C(N)=O)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is VBEFDRKUKYPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.C18H19N7O.C16H23BN2O2.C15H14ClN5O/c1-16(2)31-15-20(18-10-7-11-27-24(18)31)21-12-22(30(3)14-17-8-5-4-6-9-17)32-25(29-21)19(13-28-32)23(26)33;1-10(2)24-9-13(11-5-4-6-21-17(11)24)14-7-15(20-3)25-18(23-14)12(8-22-25)16(19)26;1-11(2)19-10-13(12-8-7-9-18-14(12)19)17-20-15(3,4)16(5,6)21-17;1-20(9-10-5-3-2-4-6-10)13-7-12(16)19-15-11(14(17)22)8-18-21(13)15/h4-13,15-16H,14H2,1-3H3,(H2,26,33);4-10,20H,1-3H3,(H2,19,26);7-11H,1-6H3;2-8H,9H2,1H3,(H2,17,22).
What are the key properties of 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?
7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 1390.87 g/mol, XLogP of 11.56, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161250267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).