2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

C120H110Br3FN26O9 — CID 159427255

IUPAC2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CN1.Cn1ccc(-c2cnn3c(N)c(Br)c(-c4ccc(CC(N)=O)cc4)nc23)c1.Nc1c(-c2ccc(F)cc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C30H27FN4O2.C29H27N5O2.C23H16BrN5O2.C19H23BrN6O2.C19H17BrN6O/c31-24-13-11-20(12-14-24)27-28(21-7-5-18(6-8-21)15-26(36)37)34-30-25(17-33-35(30)29(27)32)23-10-9-19-3-1-2-4-22(19)16-23;30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23;24-20-21(14-7-5-13(6-8-14)9-19(30)31)28-23-17(12-27-29(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;1-3-28-19(27)14-5-4-11(8-22-14)16-15(20)17(21)26-18(24-16)13(9-23-26)12-6-7-25(2)10-12;1-25-7-6-13(10-25)14-9-23-26-18(22)16(20)17(24-19(14)26)12-4-2-11(3-5-12)8-15(21)27/h1-4,9-14,16-18,21H,5-8,15,32H2,(H,36,37);1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36);1-8,10-12H,9,25H2,(H,30,31);6-7,9-11,14,22H,3-5,8,21H2,1-2H3;2-7,9-10H,8,22H2,1H3,(H2,21,27)
InChIKeyLQNFXKVNDKROKA-UHFFFAOYSA-N
MW2319.08 g/mol
LogP22.46
Rot. Bonds22

About 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (PubChem CID 159427255) has the molecular formula C120H110Br3FN26O9 and a molecular weight of 2319.08 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Name2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
PubChem CID159427255
Molecular FormulaC120H110Br3FN26O9
Molecular Weight2319.08 g/mol
Exact Mass2314.65
IUPAC Name2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CN1.Cn1ccc(-c2cnn3c(N)c(Br)c(-c4ccc(CC(N)=O)cc4)nc23)c1.Nc1c(-c2ccc(F)cc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C30H27FN4O2.C29H27N5O2.C23H16BrN5O2.C19H23BrN6O2.C19H17BrN6O/c31-24-13-11-20(12-14-24)27-28(21-7-5-18(6-8-21)15-26(36)37)34-30-25(17-33-35(30)29(27)32)23-10-9-19-3-1-2-4-22(19)16-23;30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23;24-20-21(14-7-5-13(6-8-14)9-19(30)31)28-23-17(12-27-29(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;1-3-28-19(27)14-5-4-11(8-22-14)16-15(20)17(21)26-18(24-16)13(9-23-26)12-6-7-25(2)10-12;1-25-7-6-13(10-25)14-9-23-26-18(22)16(20)17(24-19(14)26)12-4-2-11(3-5-12)8-15(21)27/h1-4,9-14,16-18,21H,5-8,15,32H2,(H,36,37);1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36);1-8,10-12H,9,25H2,(H,30,31);6-7,9-11,14,22H,3-5,8,21H2,1-2H3;2-7,9-10H,8,22H2,1H3,(H2,21,27)
InChIKeyLQNFXKVNDKROKA-UHFFFAOYSA-N
XLogP22.46
TPSA510.01 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002319.08
LogP ≤ 522.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate with MolForge

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Related Compounds

4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide
CID 157889207
2-[3-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;ethyl 2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;2,2,2-trifluoroacetaldehyde
CID 158696012
N-[5-[2-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2,5-bis(trifluoromethyl)phenyl]acetamide;2-[2,5-bis(trifluoromethyl)phenyl]acetic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]carbamate;tert-butyl N-[2-[[4-[[6-[3-[[2-[2,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]amino]-2-oxoethyl]carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159728346
4-[7-amino-3-(1-benzylpyrazol-4-yl)-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-[4-[7-amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-[4-(1,1-difluoroethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-(trifluoromethylsulfonyl)acetamide;6-bromo-5-(1-cyclopropylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 162020451
7-[7-Amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157106836
2-[4-[7-amino-6-bromo-3-[6-[1-(2-hydroxy-2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(2-methoxy-3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(1-methylpyrrol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 157369201
1-Acetyl-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;2-[1-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxamide;methyl 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoate
CID 157538517
5-[7-Amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 157575590
2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157707618
4-[2-(7-Amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;1-[4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidin-1-yl]ethanone;1-[4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidin-1-yl]-2-methoxyethanone;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid;6-bromo-5-[2-(1-ethylsulfonylpiperidin-4-yl)ethyl]-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157903852
4-[7-Amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-propan-2-ylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 158036948
2-[4-[7-Amino-6-bromo-3-(6-bromonaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[1-(7-amino-6-bromo-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetonitrile;2-[1-(7-amino-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid;6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158048089

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The IUPAC name of 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (CID 159427255) is 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.
What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is CCOC(=O)C1CCC(c2nc3c(-c4ccn(C)c4)cnn3c(N)c2Br)CN1.Cn1ccc(-c2cnn3c(N)c(Br)c(-c4ccc(CC(N)=O)cc4)nc23)c1.Nc1c(-c2ccc(F)cc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccncc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
The InChIKey is LQNFXKVNDKROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2.C29H27N5O2.C23H16BrN5O2.C19H23BrN6O2.C19H17BrN6O/c31-24-13-11-20(12-14-24)27-28(21-7-5-18(6-8-21)15-26(36)37)34-30-25(17-33-35(30)29(27)32)23-10-9-19-3-1-2-4-22(19)16-23;30-28-26(20-11-13-31-14-12-20)27(21-7-5-18(6-8-21)15-25(35)36)33-29-24(17-32-34(28)29)23-10-9-19-3-1-2-4-22(19)16-23;24-20-21(14-7-5-13(6-8-14)9-19(30)31)28-23-17(12-27-29(23)22(20)25)16-10-15-3-1-2-4-18(15)26-11-16;1-3-28-19(27)14-5-4-11(8-22-14)16-15(20)17(21)26-18(24-16)13(9-23-26)12-6-7-25(2)10-12;1-25-7-6-13(10-25)14-9-23-26-18(22)16(20)17(24-19(14)26)12-4-2-11(3-5-12)8-15(21)27/h1-4,9-14,16-18,21H,5-8,15,32H2,(H,36,37);1-4,9-14,16-18,21H,5-8,15,30H2,(H,35,36);1-8,10-12H,9,25H2,(H,30,31);6-7,9-11,14,22H,3-5,8,21H2,1-2H3;2-7,9-10H,8,22H2,1H3,(H2,21,27).
What are the key properties of 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?
2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate has a molecular weight of 2319.08 g/mol, XLogP of 22.46, 22 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;2-[4-[7-amino-6-(4-fluorophenyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-(7-amino-3-naphthalen-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;ethyl 5-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is sourced from PubChem (CID 159427255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).