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

C30H27ClF3N5 — CID 137353326

IUPAC3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C30H27ClF3N5/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)30(32,33)34/h5-12,14,16,35H,3-4,13,15,17H2,1-2H3
InChIKeyYQADPVABCXRNPJ-UHFFFAOYSA-N
MW550.03 g/mol
LogP7.78
Rot. Bonds5

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

3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353326) has the molecular formula C30H27ClF3N5 and a molecular weight of 550.03 g/mol. Its IUPAC name is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353326
Molecular FormulaC30H27ClF3N5
Molecular Weight550.03 g/mol
Exact Mass549.19
IUPAC Name3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C30H27ClF3N5/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)30(32,33)34/h5-12,14,16,35H,3-4,13,15,17H2,1-2H3
InChIKeyYQADPVABCXRNPJ-UHFFFAOYSA-N
XLogP7.78
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.03
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353326) is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is YQADPVABCXRNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF3N5/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)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-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 550.03 g/mol, XLogP of 7.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).