2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate

C72H65ClF8N12O12 — CID 158403943

About 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate

2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate (PubChem CID 158403943) has the molecular formula C72H65ClF8N12O12 and a molecular weight of 1477.82 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate.

Molecular Properties

• Compound Name: 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate
• PubChem CID: 158403943
• Molecular Formula: C72H65ClF8N12O12
• Molecular Weight: 1477.82 g/mol
• Exact Mass: 1476.44
• IUPAC Name: 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCc1oc(=O)oc1C)CN(c1ncc(C(F)(F)F)cn1)CC2.Cc1oc(=O)oc1COC(=O)Cl
• InChI: InChI=1S/C36H32F4N6O6.C30H28F4N6O.C6H5ClO5/c1-5-20-8-7-9-21(6-2)29(20)46-30(25-17-44(12-11-27(25)43-46)33-41-15-22(16-42-33)36(38,39)40)24-14-26(37)32(49-4)31-23(24)10-13-45(31)34(47)50-18-28-19(3)51-35(48)52-28;1-4-17-7-6-8-18(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;1-3-4(2-10-5(7)8)12-6(9)11-3/h7-10,13-16H,5-6,11-12,17-18H2,1-4H3;6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;2H2,1H3
• InChIKey: GYLDGKFFPUZIDQ-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 272.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.82
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate?

The IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate (CID 158403943) is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate.

What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate?

The canonical SMILES for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCc1oc(=O)oc1C)CN(c1ncc(C(F)(F)F)cn1)CC2.Cc1oc(=O)oc1COC(=O)Cl.

What is the InChIKey of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate?

The InChIKey is GYLDGKFFPUZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F4N6O6.C30H28F4N6O.C6H5ClO5/c1-5-20-8-7-9-21(6-2)29(20)46-30(25-17-44(12-11-27(25)43-46)33-41-15-22(16-42-33)36(38,39)40)24-14-26(37)32(49-4)31-23(24)10-13-45(31)34(47)50-18-28-19(3)51-35(48)52-28;1-4-17-7-6-8-18(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;1-3-4(2-10-5(7)8)12-6(9)11-3/h7-10,13-16H,5-6,11-12,17-18H2,1-4H3;6-9,11,13-15,35H,4-5,10,12,16H2,1-3H3;2H2,1H3.

What are the key properties of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate?

2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate has a molecular weight of 1477.82 g/mol, XLogP of 15.26, 16 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonochloridate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate is sourced from PubChem (CID 158403943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).