acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride

C64H61Cl3F9N11 — CID 159518096

About acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride

acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 159518096) has the molecular formula C64H61Cl3F9N11 and a molecular weight of 1261.61 g/mol. Its IUPAC name is acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
• PubChem CID: 159518096
• Molecular Formula: C64H61Cl3F9N11
• Molecular Weight: 1261.61 g/mol
• Exact Mass: 1259.40
• IUPAC Name: acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
• SMILES: CC#N.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(C)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(C)c3[nH]ccc13)CNCC2.Cl.Fc1cc(C(F)(F)F)cnc1F
• InChI: InChI=1S/C31H28ClF4N5.C25H27ClN4.C6H2F5N.C2H3N.ClH/c1-4-18-7-6-8-19(5-2)28(18)41-29(22-14-24(32)17(3)27-21(22)9-11-37-27)23-16-40(12-10-26(23)39-41)30-25(33)13-20(15-38-30)31(34,35)36;1-4-16-7-6-8-17(5-2)24(16)30-25(20-14-27-11-10-22(20)29-30)19-13-21(26)15(3)23-18(19)9-12-28-23;7-4-1-3(6(9,10)11)2-12-5(4)8;1-2-3;/h6-9,11,13-15,37H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;1-2H;1H3;1H
• InChIKey: WSTPWPVVOJSGHI-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 132.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.61
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride?

The IUPAC name of acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride (CID 159518096) is acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride.

What is the SMILES notation for acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride?

The canonical SMILES for acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride is CC#N.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(C)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(Cl)c(C)c3[nH]ccc13)CNCC2.Cl.Fc1cc(C(F)(F)F)cnc1F.

What is the InChIKey of acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride?

The InChIKey is WSTPWPVVOJSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF4N5.C25H27ClN4.C6H2F5N.C2H3N.ClH/c1-4-18-7-6-8-19(5-2)28(18)41-29(22-14-24(32)17(3)27-21(22)9-11-37-27)23-16-40(12-10-26(23)39-41)30-25(33)13-20(15-38-30)31(34,35)36;1-4-16-7-6-8-17(5-2)24(16)30-25(20-14-27-11-10-22(20)29-30)19-13-21(26)15(3)23-18(19)9-12-28-23;7-4-1-3(6(9,10)11)2-12-5(4)8;1-2-3;/h6-9,11,13-15,37H,4-5,10,12,16H2,1-3H3;6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;1-2H;1H3;1H.

What are the key properties of acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride?

acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 1261.61 g/mol, XLogP of 17.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 159518096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).