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2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane

C33H36F3N5 — CID 142488578

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
SMILESCC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C31H30F3N5.C2H6/c1-4-20-7-6-8-21(5-2)29(20)39-30(24-11-9-19(3)28-23(24)13-15-35-28)25-18-38(16-14-26(25)37-39)27-12-10-22(17-36-27)31(32,33)34;1-2/h6-13,15,17,35H,4-5,14,16,18H2,1-3H3;1-2H3
InChIKeyNSNYOYUOTLSFFH-UHFFFAOYSA-N
MW559.68 g/mol
LogP8.46
Rot. Bonds5

About 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane

2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (PubChem CID 142488578) has the molecular formula C33H36F3N5 and a molecular weight of 559.68 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
PubChem CID142488578
Molecular FormulaC33H36F3N5
Molecular Weight559.68 g/mol
Exact Mass559.29
IUPAC Name2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
SMILESCC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C31H30F3N5.C2H6/c1-4-20-7-6-8-21(5-2)29(20)39-30(24-11-9-19(3)28-23(24)13-15-35-28)25-18-38(16-14-26(25)37-39)27-12-10-22(17-36-27)31(32,33)34;1-2/h6-13,15,17,35H,4-5,14,16,18H2,1-3H3;1-2H3
InChIKeyNSNYOYUOTLSFFH-UHFFFAOYSA-N
XLogP8.46
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.68
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The IUPAC name of 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (CID 142488578) is 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.
What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The canonical SMILES for 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is CC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The InChIKey is NSNYOYUOTLSFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5.C2H6/c1-4-20-7-6-8-21(5-2)29(20)39-30(24-11-9-19(3)28-23(24)13-15-35-28)25-18-38(16-14-26(25)37-39)27-12-10-22(17-36-27)31(32,33)34;1-2/h6-13,15,17,35H,4-5,14,16,18H2,1-3H3;1-2H3.
What are the key properties of 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane has a molecular weight of 559.68 g/mol, XLogP of 8.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is sourced from PubChem (CID 142488578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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