tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride

C127H153BBrCl6F6N21O10 — CID 159628564

About tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride

tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride (PubChem CID 159628564) has the molecular formula C127H153BBrCl6F6N21O10 and a molecular weight of 2551.18 g/mol. Its IUPAC name is tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride
• PubChem CID: 159628564
• Molecular Formula: C127H153BBrCl6F6N21O10
• Molecular Weight: 2551.18 g/mol
• Exact Mass: 2545.94
• IUPAC Name: tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.CCc1cccc(CC)c1N.CCc1cccc(CC)c1NN.COc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.Cl.Cl.FC(F)(F)c1cnc(Cl)nc1.[C-]#[N+]C1CN(C(=O)OC(C)(C)C)CCC1=O
• InChI: InChI=1S/C30H28ClF3N6O.C25H27ClN4O.C21H28BrN3O2.C15H19BClNO3.C11H16N2O3.C10H16N2.C10H15N.C5H2ClF3N2.2ClH/c1-4-17-7-6-8-18(5-2)26(17)40-27(21-13-23(31)28(41-3)25-20(21)9-11-35-25)22-16-39(12-10-24(22)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)23(15)30-24(19-14-27-11-10-21(19)29-30)18-13-20(26)25(31-3)22-17(18)9-12-28-22;1-6-14-9-8-10-15(7-2)18(14)25-19(22)16-13-24(12-11-17(16)23-25)20(26)27-21(3,4)5;1-14(2)15(3,4)21-16(20-14)10-8-11(17)13(19-5)12-9(10)6-7-18-12;1-11(2,3)16-10(15)13-6-5-9(14)8(7-13)12-4;1-3-8-6-5-7-9(4-2)10(8)12-11;1-3-8-6-5-7-9(4-2)10(8)11;6-4-10-1-3(2-11-4)5(7,8)9;;/h6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-8,18H,1-5H3;8H,5-7H2,1-3H3;5-7,12H,3-4,11H2,1-2H3;5-7H,3-4,11H2,1-2H3;1-2H;2*1H
• InChIKey: ZFKYPOPSYLQTAT-UHFFFAOYSA-N
• XLogP: 29.78
• TPSA: 358.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.18
LogP ≤ 5	29.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride?

The IUPAC name of tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride (CID 159628564) is tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride.

What is the SMILES notation for tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride?

The canonical SMILES for tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(OC)c3[nH]ccc13)CNCC2.CCc1cccc(CC)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.CCc1cccc(CC)c1N.CCc1cccc(CC)c1NN.COc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.Cl.Cl.FC(F)(F)c1cnc(Cl)nc1.[C-]#[N+]C1CN(C(=O)OC(C)(C)C)CCC1=O.

What is the InChIKey of tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride?

The InChIKey is ZFKYPOPSYLQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N6O.C25H27ClN4O.C21H28BrN3O2.C15H19BClNO3.C11H16N2O3.C10H16N2.C10H15N.C5H2ClF3N2.2ClH/c1-4-17-7-6-8-18(5-2)26(17)40-27(21-13-23(31)28(41-3)25-20(21)9-11-35-25)22-16-39(12-10-24(22)38-40)29-36-14-19(15-37-29)30(32,33)34;1-4-15-7-6-8-16(5-2)23(15)30-24(19-14-27-11-10-21(19)29-30)18-13-20(26)25(31-3)22-17(18)9-12-28-22;1-6-14-9-8-10-15(7-2)18(14)25-19(22)16-13-24(12-11-17(16)23-25)20(26)27-21(3,4)5;1-14(2)15(3,4)21-16(20-14)10-8-11(17)13(19-5)12-9(10)6-7-18-12;1-11(2,3)16-10(15)13-6-5-9(14)8(7-13)12-4;1-3-8-6-5-7-9(4-2)10(8)12-11;1-3-8-6-5-7-9(4-2)10(8)11;6-4-10-1-3(2-11-4)5(7,8)9;;/h6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;8-10H,6-7,11-13H2,1-5H3;6-8,18H,1-5H3;8H,5-7H2,1-3H3;5-7,12H,3-4,11H2,1-2H3;5-7H,3-4,11H2,1-2H3;1-2H;2*1H.

What are the key properties of tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride?

tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride has a molecular weight of 2551.18 g/mol, XLogP of 29.78, 21 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-isocyano-4-oxopiperidine-1-carboxylate;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-chloro-7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-chloro-5-(trifluoromethyl)pyrimidine;2,6-diethylaniline;(2,6-diethylphenyl)hydrazine;dihydrochloride is sourced from PubChem (CID 159628564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).