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

C100H97Cl4F2N29O2 — CID 158033501

IUPAC4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O.C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c20-15-3-1-14(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;2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h1-6,8-9,16,26H,7,10-12,21H2;2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21)
InChIKeyFHLSMYWCZFXQLG-UHFFFAOYSA-N
MW1916.88 g/mol
LogP16.71
Rot. Bonds22

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

4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine (PubChem CID 158033501) has the molecular formula C100H97Cl4F2N29O2 and a molecular weight of 1916.88 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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine.

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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
PubChem CID158033501
Molecular FormulaC100H97Cl4F2N29O2
Molecular Weight1916.88 g/mol
Exact Mass1913.71
IUPAC Name4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O.C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c20-15-3-1-14(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;2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h1-6,8-9,16,26H,7,10-12,21H2;2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21)
InChIKeyFHLSMYWCZFXQLG-UHFFFAOYSA-N
XLogP16.71
TPSA437.97 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.88
LogP ≤ 516.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

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

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Launch Full Analysis

Related Compounds

5-chloro-2-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2,5-dimethyl-4-[(2S)-1-methylpiperidin-2-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
CID 157393225
1-[4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2-methylpropan-1-ol;bis(1-[4-[3-chloro-5-fluoro-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-methoxypropan-2-ol;2-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-4,4,4-trifluorobutan-2-ol
CID 157452657
1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 157491418
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 157562477
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
N-[6-[3-(dimethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N',N'-dimethyl-N-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]ethane-1,2-diamine;N-[6-[3-(methylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;2-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propylamino]ethanol
CID 159160300
4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol;(2S)-4-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;(2S)-4-methyl-2-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 159306534
(3S,4S)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-ol;(3R,4R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-ol;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methanamine;(3S,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol;(3R,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol;molecular hydrogen
CID 159541767
5-chloro-3-[4-(4,4-difluoropiperidin-1-yl)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-[5-fluoro-4-imidazol-1-yl-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyrrol-1-ylpyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 159572610
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;6-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1H-pyrimidin-2-one;1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 159650306
5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 159723640

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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine (CID 158033501) is 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine.
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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine is Clc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1.
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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
The InChIKey is FHLSMYWCZFXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c20-15-3-1-14(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;2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h1-6,8-9,16,26H,7,10-12,21H2;2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21).
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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine has a molecular weight of 1916.88 g/mol, XLogP of 16.71, 22 rotatable bonds, 11 hydrogen bond donors, and 27 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-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 158033501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).