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

C31H29F4N5O — CID 142488421

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
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2
InChIInChI=1S/C31H29F4N5O/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/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3
InChIKeyKORYPFNDGBUNLL-UHFFFAOYSA-N
MW563.60 g/mol
LogP7.27
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

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 (PubChem CID 142488421) has the molecular formula C31H29F4N5O and a molecular weight of 563.60 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.

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
PubChem CID142488421
Molecular FormulaC31H29F4N5O
Molecular Weight563.60 g/mol
Exact Mass563.23
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
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2
InChIInChI=1S/C31H29F4N5O/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/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3
InChIKeyKORYPFNDGBUNLL-UHFFFAOYSA-N
XLogP7.27
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.60
LogP ≤ 57.27
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 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
(S)-1-(1H-indol-3-yl)-3-(5-(3-morpholino-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10238690
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
N-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290919
N-(2-(5-Methoxyisoindolin-2-yl)-5-methylpyrimidin-4-yl)-1H-indazol-5-amine
CID 118437234
3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142401414
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
N'-[3-[(5-methoxy-15-methyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-12-yl)amino]propyl]-N'-methylpropane-1,3-diamine
CID 11200572
US10071079, Example 134
CID 132272038
US10071079, Example 160
CID 132272057

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?
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 (CID 142488421) 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.
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?
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 is 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?
The InChIKey is KORYPFNDGBUNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N5O/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/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3.
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?
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 has a molecular weight of 563.60 g/mol, XLogP of 7.27, 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 is sourced from PubChem (CID 142488421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).