[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

C110H112Br3F3N26O8 — CID 159501465

IUPAC[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
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Nc1c(Br)c(C2CCN(C(=O)C(F)(F)F)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C30H33N7O3.C28H30BrN7O2.C28H29BrN6O2.C24H20BrF3N6O/c1-19(38)25-26(21-9-15-36(16-10-21)29(39)30(40)11-13-32-14-12-30)35-28-23(18-34-37(28)27(25)31)22-7-8-24(33-17-22)20-5-3-2-4-6-20;29-23-24(19-8-14-35(15-9-19)27(37)28(38)10-12-31-13-11-28)34-26-21(17-33-36(26)25(23)30)20-6-7-22(32-16-20)18-4-2-1-3-5-18;29-24-25(19-8-12-34(13-9-19)28(36)20-10-14-37-15-11-20)33-27-22(17-32-35(27)26(24)30)21-6-7-23(31-16-21)18-4-2-1-3-5-18;25-19-20(15-8-10-33(11-9-15)23(35)24(26,27)28)32-22-17(13-31-34(22)21(19)29)16-6-7-18(30-12-16)14-4-2-1-3-5-14/h2-8,17-18,21,32,40H,9-16,31H2,1H3;1-7,16-17,19,31,38H,8-15,30H2;1-7,16-17,19-20H,8-15,30H2;1-7,12-13,15H,8-11,29H2
InChIKeyLZKYZFXRQDZLCG-UHFFFAOYSA-N
MW2222.99 g/mol
LogP16.69
Rot. Bonds16

About [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

[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 (PubChem CID 159501465) has the molecular formula C110H112Br3F3N26O8 and a molecular weight of 2222.99 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159501465
Molecular FormulaC110H112Br3F3N26O8
Molecular Weight2222.99 g/mol
Exact Mass2218.67
IUPAC Name[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
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Nc1c(Br)c(C2CCN(C(=O)C(F)(F)F)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C30H33N7O3.C28H30BrN7O2.C28H29BrN6O2.C24H20BrF3N6O/c1-19(38)25-26(21-9-15-36(16-10-21)29(39)30(40)11-13-32-14-12-30)35-28-23(18-34-37(28)27(25)31)22-7-8-24(33-17-22)20-5-3-2-4-6-20;29-23-24(19-8-14-35(15-9-19)27(37)28(38)10-12-31-13-11-28)34-26-21(17-33-36(26)25(23)30)20-6-7-22(32-16-20)18-4-2-1-3-5-18;29-24-25(19-8-12-34(13-9-19)28(36)20-10-14-37-15-11-20)33-27-22(17-32-35(27)26(24)30)21-6-7-23(31-16-21)18-4-2-1-3-5-18;25-19-20(15-8-10-33(11-9-15)23(35)24(26,27)28)32-22-17(13-31-34(22)21(19)29)16-6-7-18(30-12-16)14-4-2-1-3-5-14/h2-8,17-18,21,32,40H,9-16,31H2,1H3;1-7,16-17,19,31,38H,8-15,30H2;1-7,16-17,19-20H,8-15,30H2;1-7,12-13,15H,8-11,29H2
InChIKeyLZKYZFXRQDZLCG-UHFFFAOYSA-N
XLogP16.69
TPSA448.46 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002222.99
LogP ≤ 516.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one;3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-2-one;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 157521146
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
4-[6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
CID 157990246
2-Amino-3,3,3-trifluoro-1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-methylpropan-1-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one;3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-2-one;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 158352465
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
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
2-[4-[6-Acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157128337
bis((3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-3-hydroxybutan-2-one);bis((3R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-3-hydroxybutan-2-one)
CID 157220579
5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;tert-butyl N-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate;tert-butyl N-[5-(3-isocyanophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate
CID 157235529
5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
CID 157518722
2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol;2-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide;3-(7-amino-3-bromo-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide;1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-phenylethanone;1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157532953
4-[6-Acetyl-7-amino-3-(6-cyclopenta-1,4-dien-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(2-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 157625552

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(=O)c1c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.Nc1c(Br)c(C2CCN(C(=O)C(F)(F)F)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3(O)CCNCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)C3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of [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?
The InChIKey is LZKYZFXRQDZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C28H30BrN7O2.C28H29BrN6O2.C24H20BrF3N6O/c1-19(38)25-26(21-9-15-36(16-10-21)29(39)30(40)11-13-32-14-12-30)35-28-23(18-34-37(28)27(25)31)22-7-8-24(33-17-22)20-5-3-2-4-6-20;29-23-24(19-8-14-35(15-9-19)27(37)28(38)10-12-31-13-11-28)34-26-21(17-33-36(26)25(23)30)20-6-7-22(32-16-20)18-4-2-1-3-5-18;29-24-25(19-8-12-34(13-9-19)28(36)20-10-14-37-15-11-20)33-27-22(17-32-35(27)26(24)30)21-6-7-23(31-16-21)18-4-2-1-3-5-18;25-19-20(15-8-10-33(11-9-15)23(35)24(26,27)28)32-22-17(13-31-34(22)21(19)29)16-6-7-18(30-12-16)14-4-2-1-3-5-14/h2-8,17-18,21,32,40H,9-16,31H2,1H3;1-7,16-17,19,31,38H,8-15,30H2;1-7,16-17,19-20H,8-15,30H2;1-7,12-13,15H,8-11,29H2.
What are the key properties of [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?
[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 has a molecular weight of 2222.99 g/mol, XLogP of 16.69, 16 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159501465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).