5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid

C115H79Br5N30O11 — CID 160918104

IUPAC5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)cn2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C26H21BrN6O2.2C23H15BrN6O2.C22H14BrN5O3.C21H14BrN7O2/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;24-19-20(18-9-7-15(11-27-18)23(31)32)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-19-20(15-7-9-18(23(31)32)27-11-15)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;22-17-18(12-6-7-16(21(30)31)24-8-12)27-20-15(10-26-29(20)19(17)23)13-9-25-28(11-13)14-4-2-1-3-5-14/h3-14H,28H2,1-2H3,(H,34,35);2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,29,30);1-11H,23H2,(H,30,31)
InChIKeySRRCTUHILYAEAP-UHFFFAOYSA-N
MW2456.62 g/mol
LogP22.80
Rot. Bonds21

About 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid

5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid (PubChem CID 160918104) has the molecular formula C115H79Br5N30O11 and a molecular weight of 2456.62 g/mol. Its IUPAC name is 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid
PubChem CID160918104
Molecular FormulaC115H79Br5N30O11
Molecular Weight2456.62 g/mol
Exact Mass2450.25
IUPAC Name5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)cn2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C26H21BrN6O2.2C23H15BrN6O2.C22H14BrN5O3.C21H14BrN7O2/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;24-19-20(18-9-7-15(11-27-18)23(31)32)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-19-20(15-7-9-18(23(31)32)27-11-15)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;22-17-18(12-6-7-16(21(30)31)24-8-12)27-20-15(10-26-29(20)19(17)23)13-9-25-28(11-13)14-4-2-1-3-5-14/h3-14H,28H2,1-2H3,(H,34,35);2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,29,30);1-11H,23H2,(H,30,31)
InChIKeySRRCTUHILYAEAP-UHFFFAOYSA-N
XLogP22.80
TPSA601.63 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.62
LogP ≤ 522.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid with MolForge

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Related Compounds

5-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid
CID 68072112
3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 157119714
4-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;5-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypyridine-2-carboxylic acid
CID 157327979
Methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 157798728
Methyl 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 157811862
4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 158024283
6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;bis(6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid);6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 158367038
5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 158394409
1-[(4,6-Dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone
CID 158712375
3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-ylmethylamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 159361728
3,6-Dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 159394470
Ethyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 159973887

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid (CID 160918104) is 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)cn2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid?
The InChIKey is SRRCTUHILYAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN6O2.2C23H15BrN6O2.C22H14BrN5O3.C21H14BrN7O2/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;24-19-20(18-9-7-15(11-27-18)23(31)32)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;24-19-20(15-7-9-18(23(31)32)27-11-15)29-22-16(12-28-30(22)21(19)25)14-6-8-17(26-10-14)13-4-2-1-3-5-13;23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;22-17-18(12-6-7-16(21(30)31)24-8-12)27-20-15(10-26-29(20)19(17)23)13-9-25-28(11-13)14-4-2-1-3-5-14/h3-14H,28H2,1-2H3,(H,34,35);2*1-12H,25H2,(H,31,32);1-11H,24H2,(H,29,30);1-11H,23H2,(H,30,31).
What are the key properties of 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid?
5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid has a molecular weight of 2456.62 g/mol, XLogP of 22.80, 21 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid is sourced from PubChem (CID 160918104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).