3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C30H27ClF3N5O — CID 137353292

IUPAC3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(OC(F)(F)F)cn1)CC2
InChIInChI=1S/C30H27ClF3N5O/c1-3-18-6-5-7-19(4-2)28(18)39-29(22-9-10-24(31)27-21(22)12-14-35-27)23-17-38(15-13-25(23)37-39)26-11-8-20(16-36-26)40-30(32,33)34/h5-12,14,16,35H,3-4,13,15,17H2,1-2H3
InChIKeyGXMREGOXQFHIHJ-UHFFFAOYSA-N
MW566.03 g/mol
LogP7.66
Rot. Bonds6

About 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353292) has the molecular formula C30H27ClF3N5O and a molecular weight of 566.03 g/mol. Its IUPAC name is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353292
Molecular FormulaC30H27ClF3N5O
Molecular Weight566.03 g/mol
Exact Mass565.19
IUPAC Name3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(OC(F)(F)F)cn1)CC2
InChIInChI=1S/C30H27ClF3N5O/c1-3-18-6-5-7-19(4-2)28(18)39-29(22-9-10-24(31)27-21(22)12-14-35-27)23-17-38(15-13-25(23)37-39)26-11-8-20(16-36-26)40-30(32,33)34/h5-12,14,16,35H,3-4,13,15,17H2,1-2H3
InChIKeyGXMREGOXQFHIHJ-UHFFFAOYSA-N
XLogP7.66
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.03
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-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-[5-Chloro-3-[(2,3,6-trifluorophenyl)methyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
CID 53467362
2-[5-Chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
CID 67431766
N-[2-chloro-4-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291059
2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137352635
3-(6-chloro-7-methoxy-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137352745
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353218
2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353222
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353270
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353326
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
2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-(7-methoxy-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488421
[2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 145755922

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353292) is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(OC(F)(F)F)cn1)CC2.
What is the InChIKey of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is GXMREGOXQFHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF3N5O/c1-3-18-6-5-7-19(4-2)28(18)39-29(22-9-10-24(31)27-21(22)12-14-35-27)23-17-38(15-13-25(23)37-39)26-11-8-20(16-36-26)40-30(32,33)34/h5-12,14,16,35H,3-4,13,15,17H2,1-2H3.
What are the key properties of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 566.03 g/mol, XLogP of 7.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).