(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C123H131Cl7F24N26O13 — CID 162039154

IUPAC(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.Fc1ccc(-n2ncc3c2CCCN3)cc1.N[C@@H](CO)c1ccccc1
InChIInChI=1S/2C21H20ClF4N5O.2C17H19ClF3N3O2.C12H12FN3.3C9H10ClF3N2O2.C8H11NO/c2*1-3-15(30-12(2)18(22)19(28-30)21(24,25)26)20(32)29-10-4-5-16-17(29)11-27-31(16)14-8-6-13(23)7-9-14;2*1-3-13(24-10(2)14(18)15(23-24)17(19,20)21)16(26)22-12(9-25)11-7-5-4-6-8-11;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;3*1-3-5(8(16)17)15-4(2)6(10)7(14-15)9(11,12)13;9-8(6-10)7-4-2-1-3-5-7/h2*6-9,11,15H,3-5,10H2,1-2H3;2*4-8,12-13,25H,3,9H2,1-2H3,(H,22,26);3-6,8,14H,1-2,7H2;3*5H,3H2,1-2H3,(H,16,17);1-5,8,10H,6,9H2/t2*15-;12-,13+;12-,13-;;5-;;;8-/m1000.1..0/s1
InChIKeyYXAQHFYOYLTEPE-UXSQSLFRSA-N
MW2885.69 g/mol
LogP29.31
Rot. Bonds32

About (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 162039154) has the molecular formula C123H131Cl7F24N26O13 and a molecular weight of 2885.69 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID162039154
Molecular FormulaC123H131Cl7F24N26O13
Molecular Weight2885.69 g/mol
Exact Mass2880.78
IUPAC Name(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.Fc1ccc(-n2ncc3c2CCCN3)cc1.N[C@@H](CO)c1ccccc1
InChIInChI=1S/2C21H20ClF4N5O.2C17H19ClF3N3O2.C12H12FN3.3C9H10ClF3N2O2.C8H11NO/c2*1-3-15(30-12(2)18(22)19(28-30)21(24,25)26)20(32)29-10-4-5-16-17(29)11-27-31(16)14-8-6-13(23)7-9-14;2*1-3-13(24-10(2)14(18)15(23-24)17(19,20)21)16(26)22-12(9-25)11-7-5-4-6-8-11;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;3*1-3-5(8(16)17)15-4(2)6(10)7(14-15)9(11,12)13;9-8(6-10)7-4-2-1-3-5-7/h2*6-9,11,15H,3-5,10H2,1-2H3;2*4-8,12-13,25H,3,9H2,1-2H3,(H,22,26);3-6,8,14H,1-2,7H2;3*5H,3H2,1-2H3,(H,16,17);1-5,8,10H,6,9H2/t2*15-;12-,13+;12-,13-;;5-;;;8-/m1000.1..0/s1
InChIKeyYXAQHFYOYLTEPE-UXSQSLFRSA-N
XLogP29.31
TPSA487.66 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002885.69
LogP ≤ 529.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 162039154) is (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is CCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CCC(C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)N[C@@H](CO)c1ccccc1)n1nc(C(F)(F)F)c(Cl)c1C.CC[C@H](C(=O)O)n1nc(C(F)(F)F)c(Cl)c1C.Fc1ccc(-n2ncc3c2CCCN3)cc1.N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is YXAQHFYOYLTEPE-UXSQSLFRSA-N. The full InChI is InChI=1S/2C21H20ClF4N5O.2C17H19ClF3N3O2.C12H12FN3.3C9H10ClF3N2O2.C8H11NO/c2*1-3-15(30-12(2)18(22)19(28-30)21(24,25)26)20(32)29-10-4-5-16-17(29)11-27-31(16)14-8-6-13(23)7-9-14;2*1-3-13(24-10(2)14(18)15(23-24)17(19,20)21)16(26)22-12(9-25)11-7-5-4-6-8-11;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;3*1-3-5(8(16)17)15-4(2)6(10)7(14-15)9(11,12)13;9-8(6-10)7-4-2-1-3-5-7/h2*6-9,11,15H,3-5,10H2,1-2H3;2*4-8,12-13,25H,3,9H2,1-2H3,(H,22,26);3-6,8,14H,1-2,7H2;3*5H,3H2,1-2H3,(H,16,17);1-5,8,10H,6,9H2/t2*15-;12-,13+;12-,13-;;5-;;;8-/m1000.1..0/s1.
What are the key properties of (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
(2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 2885.69 g/mol, XLogP of 29.31, 32 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenylethanol;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]butan-1-one;(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;(2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 162039154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).