1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate

C119H164Cl5F10N19O17 — CID 158473123

IUPAC1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate
SMILESCC(C)(O)CN.CC(C)[C@@H](CC(=O)CCC(C)(C)O)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](CC(=O)Cl)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O.CC(C)[C@@H]([NH3+])C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC1CCc2c(cnn2-c2ccc(F)cc2)N1.ClCCl.O=C(Cl)Cl.O=C([O-])C(F)(F)F.[2H]CF.[2H]CF
InChIInChI=1S/C25H34FN3O3.C23H31FN4O3.C20H23ClFN3O2.C18H23FN4O.C13H14FN3.C10H19NO4.C4H11NO.C2HF3O2.CCl2O.CH2Cl2.2CH3F/c1-16(2)21(14-20(30)12-13-25(4,5)32)24(31)28-17(3)6-11-22-23(28)15-27-29(22)19-9-7-18(26)8-10-19;1-14(2)20(26-22(30)31-23(4,5)6)21(29)27-15(3)7-12-18-19(27)13-25-28(18)17-10-8-16(24)9-11-17;1-12(2)16(10-19(21)26)20(27)24-13(3)4-9-17-18(24)11-23-25(17)15-7-5-14(22)6-8-15;1-11(2)17(20)18(24)22-12(3)4-9-15-16(22)10-21-23(15)14-7-5-13(19)6-8-14;1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11;1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;1-4(2,6)3-5;3-2(4,5)1(6)7;2-1(3)4;2-1-3;2*1-2/h7-10,15-17,21,32H,6,11-14H2,1-5H3;8-11,13-15,20H,7,12H2,1-6H3,(H,26,30);5-8,11-13,16H,4,9-10H2,1-3H3;5-8,10-12,17H,4,9,20H2,1-3H3;3-6,8-9,16H,2,7H2,1H3;6-7H,1-5H3,(H,11,14)(H,12,13);6H,3,5H2,1-2H3;(H,6,7);;1H2;2*1H3/t17?,21-;15?,20-;13?,16-;12?,17-;;7-;;;;;;/m1111.1....../s1/i;;;;;;;;;;2*1D
InChIKeyUNOGBXXZVALRSQ-IHIFFJSASA-N
MW2501.99 g/mol
LogP22.31
Rot. Bonds25

About 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate

1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate (PubChem CID 158473123) has the molecular formula C119H164Cl5F10N19O17 and a molecular weight of 2501.99 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate
PubChem CID158473123
Molecular FormulaC119H164Cl5F10N19O17
Molecular Weight2501.99 g/mol
Exact Mass2498.10
IUPAC Name1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate
SMILESCC(C)(O)CN.CC(C)[C@@H](CC(=O)CCC(C)(C)O)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](CC(=O)Cl)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O.CC(C)[C@@H]([NH3+])C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC1CCc2c(cnn2-c2ccc(F)cc2)N1.ClCCl.O=C(Cl)Cl.O=C([O-])C(F)(F)F.[2H]CF.[2H]CF
InChIInChI=1S/C25H34FN3O3.C23H31FN4O3.C20H23ClFN3O2.C18H23FN4O.C13H14FN3.C10H19NO4.C4H11NO.C2HF3O2.CCl2O.CH2Cl2.2CH3F/c1-16(2)21(14-20(30)12-13-25(4,5)32)24(31)28-17(3)6-11-22-23(28)15-27-29(22)19-9-7-18(26)8-10-19;1-14(2)20(26-22(30)31-23(4,5)6)21(29)27-15(3)7-12-18-19(27)13-25-28(18)17-10-8-16(24)9-11-17;1-12(2)16(10-19(21)26)20(27)24-13(3)4-9-17-18(24)11-23-25(17)15-7-5-14(22)6-8-15;1-11(2)17(20)18(24)22-12(3)4-9-15-16(22)10-21-23(15)14-7-5-13(19)6-8-14;1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11;1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;1-4(2,6)3-5;3-2(4,5)1(6)7;2-1(3)4;2-1-3;2*1-2/h7-10,15-17,21,32H,6,11-14H2,1-5H3;8-11,13-15,20H,7,12H2,1-6H3,(H,26,30);5-8,11-13,16H,4,9-10H2,1-3H3;5-8,10-12,17H,4,9,20H2,1-3H3;3-6,8-9,16H,2,7H2,1H3;6-7H,1-5H3,(H,11,14)(H,12,13);6H,3,5H2,1-2H3;(H,6,7);;1H2;2*1H3/t17?,21-;15?,20-;13?,16-;12?,17-;;7-;;;;;;/m1111.1....../s1/i;;;;;;;;;;2*1D
InChIKeyUNOGBXXZVALRSQ-IHIFFJSASA-N
XLogP22.31
TPSA481.79 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002501.99
LogP ≤ 522.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate?
The IUPAC name of 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate (CID 158473123) is 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate is CC(C)(O)CN.CC(C)[C@@H](CC(=O)CCC(C)(C)O)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](CC(=O)Cl)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O.CC(C)[C@@H]([NH3+])C(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C.CC1CCc2c(cnn2-c2ccc(F)cc2)N1.ClCCl.O=C(Cl)Cl.O=C([O-])C(F)(F)F.[2H]CF.[2H]CF.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate?
The InChIKey is UNOGBXXZVALRSQ-IHIFFJSASA-N. The full InChI is InChI=1S/C25H34FN3O3.C23H31FN4O3.C20H23ClFN3O2.C18H23FN4O.C13H14FN3.C10H19NO4.C4H11NO.C2HF3O2.CCl2O.CH2Cl2.2CH3F/c1-16(2)21(14-20(30)12-13-25(4,5)32)24(31)28-17(3)6-11-22-23(28)15-27-29(22)19-9-7-18(26)8-10-19;1-14(2)20(26-22(30)31-23(4,5)6)21(29)27-15(3)7-12-18-19(27)13-25-28(18)17-10-8-16(24)9-11-17;1-12(2)16(10-19(21)26)20(27)24-13(3)4-9-17-18(24)11-23-25(17)15-7-5-14(22)6-8-15;1-11(2)17(20)18(24)22-12(3)4-9-15-16(22)10-21-23(15)14-7-5-13(19)6-8-14;1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11;1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;1-4(2,6)3-5;3-2(4,5)1(6)7;2-1(3)4;2-1-3;2*1-2/h7-10,15-17,21,32H,6,11-14H2,1-5H3;8-11,13-15,20H,7,12H2,1-6H3,(H,26,30);5-8,11-13,16H,4,9-10H2,1-3H3;5-8,10-12,17H,4,9,20H2,1-3H3;3-6,8-9,16H,2,7H2,1H3;6-7H,1-5H3,(H,11,14)(H,12,13);6H,3,5H2,1-2H3;(H,6,7);;1H2;2*1H3/t17?,21-;15?,20-;13?,16-;12?,17-;;7-;;;;;;/m1111.1....../s1/i;;;;;;;;;;2*1D.
What are the key properties of 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate?
1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate has a molecular weight of 2501.99 g/mol, XLogP of 22.31, 25 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;tert-butyl N-[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;carbonyl dichloride;deuterio(fluoro)methane;dichloromethane;(3R)-3-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carbonyl]-4-methylpentanoyl chloride;(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-7-hydroxy-7-methyl-2-propan-2-yloctane-1,4-dione;[(2R)-1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methyl-1-oxobutan-2-yl]azanium;1-(4-fluorophenyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetate is sourced from PubChem (CID 158473123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).