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

C31H29ClF3N5 — CID 137353270

IUPAC3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1C)CC2
InChIInChI=1S/C31H29ClF3N5/c1-4-19-7-6-8-20(5-2)28(19)40-29(23-9-10-25(32)27-22(23)11-13-36-27)24-17-39(14-12-26(24)38-40)30-18(3)15-21(16-37-30)31(33,34)35/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3
InChIKeyYLZKDONQKOGHIM-UHFFFAOYSA-N
MW564.06 g/mol
LogP8.08
Rot. Bonds5

About 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-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-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353270) has the molecular formula C31H29ClF3N5 and a molecular weight of 564.06 g/mol. Its IUPAC name is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-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-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353270
Molecular FormulaC31H29ClF3N5
Molecular Weight564.06 g/mol
Exact Mass563.21
IUPAC Name3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(Cl)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1C)CC2
InChIInChI=1S/C31H29ClF3N5/c1-4-19-7-6-8-20(5-2)28(19)40-29(23-9-10-25(32)27-22(23)11-13-36-27)24-17-39(14-12-26(24)38-40)30-18(3)15-21(16-37-30)31(33,34)35/h6-11,13,15-16,36H,4-5,12,14,17H2,1-3H3
InChIKeyYLZKDONQKOGHIM-UHFFFAOYSA-N
XLogP8.08
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.06
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-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-[3-methyl-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-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353270) is 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-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-[3-methyl-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-[3-methyl-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(c1ncc(C(F)(F)F)cc1C)CC2.
What is the InChIKey of 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is YLZKDONQKOGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClF3N5/c1-4-19-7-6-8-20(5-2)28(19)40-29(23-9-10-25(32)27-22(23)11-13-36-27)24-17-39(14-12-26(24)38-40)30-18(3)15-21(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 3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-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-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 564.06 g/mol, XLogP of 8.08, 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-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).