4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol

C80H86Cl2F2N18O4 — CID 158260858

IUPAC4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESNCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCN1CC(O)Cn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)c1C1CCNCC1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CCNCC1
InChIInChI=1S/C21H23ClN4O.C21H23FN4O.C19H20ClN5O.C19H20FN5O/c2*22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(26(25-20)13-14-27)17-7-11-24-12-8-17;2*20-15-3-1-14(2-4-15)18-17(13-5-8-22-9-6-13)19-24(10-7-21)11-16(26)12-25(19)23-18/h2*1-6,9-10,17,24,27H,7-8,11-14H2;2*1-6,8-9,16,26H,7,10-12,21H2
InChIKeyGHVWXAWKFVNIBE-UHFFFAOYSA-N
MW1472.59 g/mol
LogP11.23
Rot. Bonds18

About 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol

4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 158260858) has the molecular formula C80H86Cl2F2N18O4 and a molecular weight of 1472.59 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID158260858
Molecular FormulaC80H86Cl2F2N18O4
Molecular Weight1472.59 g/mol
Exact Mass1470.64
IUPAC Name4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESNCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCN1CC(O)Cn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)c1C1CCNCC1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CCNCC1
InChIInChI=1S/C21H23ClN4O.C21H23FN4O.C19H20ClN5O.C19H20FN5O/c2*22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(26(25-20)13-14-27)17-7-11-24-12-8-17;2*20-15-3-1-14(2-4-15)18-17(13-5-8-22-9-6-13)19-24(10-7-21)11-16(26)12-25(19)23-18/h2*1-6,9-10,17,24,27H,7-8,11-14H2;2*1-6,8-9,16,26H,7,10-12,21H2
InChIKeyGHVWXAWKFVNIBE-UHFFFAOYSA-N
XLogP11.23
TPSA286.34 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.59
LogP ≤ 511.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157639429
CID 159411811
CID 159411811
7-(4-Chloro-2-fluorophenyl)-8-(2-chloro-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 160126638
(2S)-1-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol;(2R)-1-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol;N-[(2S)-1-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-yl]acetamide;N-[(2R)-1-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 160516619
5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160613790
(2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-fluoro-3-methylbutan-2-ol;(1R)-1-[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]propan-1-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-1,1,1-trifluoropropan-2-ol;5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-3-carbonitrile
CID 160879643
carbon dioxide;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[4-(1-ethylpiperidin-3-yl)-3-methylpiperidin-1-yl]-3-methylpyrazolo[3,4-b]pyrazine;1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-(3-methyl-4-piperidin-3-ylpiperidin-1-yl)pyrazolo[3,4-b]pyrazine;[(2S)-1-[4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]cyclohexyl]pyrrolidin-2-yl]methanol;methane;2,2,2-trifluoroacetic acid;dihydrochloride
CID 161464440
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol;methane
CID 157140656
3-[5-chloro-3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol;[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol;3-[3,5-difluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[(2S)-4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol
CID 157277270
(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-4-ol;[(3R)-3-[[[7-[(2-chlorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 157353864
bis(4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-ethylpyrimidine);1-[2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]piperazine;2-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine;methane
CID 157452173
7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
CID 157460215

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 158260858) is 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol is NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCN1CC(O)Cn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)c1C1CCNCC1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CCNCC1.
What is the InChIKey of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is GHVWXAWKFVNIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O.C21H23FN4O.C19H20ClN5O.C19H20FN5O/c2*22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(26(25-20)13-14-27)17-7-11-24-12-8-17;2*20-15-3-1-14(2-4-15)18-17(13-5-8-22-9-6-13)19-24(10-7-21)11-16(26)12-25(19)23-18/h2*1-6,9-10,17,24,27H,7-8,11-14H2;2*1-6,8-9,16,26H,7,10-12,21H2.
What are the key properties of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?
4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 1472.59 g/mol, XLogP of 11.23, 18 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 158260858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).