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

C33H35F4N5O — CID 142488420

IUPAC2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
SMILESCC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2
InChIInChI=1S/C31H29F4N5O.C2H6/c1-4-18-7-6-8-19(5-2)28(18)40-29(22-9-10-26(41-3)27-21(22)11-13-36-27)23-17-39(14-12-25(23)38-40)30-24(32)15-20(16-37-30)31(33,34)35;1-2/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3;1-2H3
InChIKeyMNZVAQMFNYEJOK-UHFFFAOYSA-N
MW593.67 g/mol
LogP8.30
Rot. Bonds6

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

2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (PubChem CID 142488420) has the molecular formula C33H35F4N5O and a molecular weight of 593.67 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
PubChem CID142488420
Molecular FormulaC33H35F4N5O
Molecular Weight593.67 g/mol
Exact Mass593.28
IUPAC Name2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
SMILESCC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2
InChIInChI=1S/C31H29F4N5O.C2H6/c1-4-18-7-6-8-19(5-2)28(18)40-29(22-9-10-26(41-3)27-21(22)11-13-36-27)23-17-39(14-12-25(23)38-40)30-24(32)15-20(16-37-30)31(33,34)35;1-2/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3;1-2H3
InChIKeyMNZVAQMFNYEJOK-UHFFFAOYSA-N
XLogP8.30
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dimethyl-6-piperidin-4-yl-9H-carbazole
CID 156213234
N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548650
2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548653
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-6-piperidin-4-yl-9H-carbazole
CID 156240079
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-6-piperidin-4-yl-9H-carbazole
CID 156240264
US10071079, Example 134
CID 132272038
US10071079, Example 160
CID 132272057
US10266548, Example 2-39-1
CID 71553966
US10266548, Example 34-3
CID 71554485
US10266548, Example 27-1
CID 86732457
N-(2-fluoropyridin-4-yl)-5-methoxy-2-[1-(4-methoxybenzyl)-1H-indazol-3-yl]pyrimidin-4-amine
CID 86732467
2-[1-(4-ethoxy-2,6-difluorobenzyl)-4-methyl-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine
CID 86732474

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The IUPAC name of 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (CID 142488420) is 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.
What is the SMILES notation for 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The canonical SMILES for 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is CC.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.
What is the InChIKey of 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
The InChIKey is MNZVAQMFNYEJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N5O.C2H6/c1-4-18-7-6-8-19(5-2)28(18)40-29(22-9-10-26(41-3)27-21(22)11-13-36-27)23-17-39(14-12-25(23)38-40)30-24(32)15-20(16-37-30)31(33,34)35;1-2/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3;1-2H3.
What are the key properties of 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane?
2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane has a molecular weight of 593.67 g/mol, XLogP of 8.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is sourced from PubChem (CID 142488420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).