2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

C25H28ClFN4O — CID 137353356

IUPAC2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CNCC2.Cl
InChIInChI=1S/C25H27FN4O.ClH/c1-4-15-7-6-8-16(5-2)24(15)30-25(18-14-27-11-10-20(18)29-30)22-17-9-12-28-23(17)21(31-3)13-19(22)26;/h6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;1H
InChIKeyQUVSXONXACTJLY-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.36
Rot. Bonds5

About 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 137353356) has the molecular formula C25H28ClFN4O and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID137353356
Molecular FormulaC25H28ClFN4O
Molecular Weight454.98 g/mol
Exact Mass454.19
IUPAC Name2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CNCC2.Cl
InChIInChI=1S/C25H27FN4O.ClH/c1-4-15-7-6-8-16(5-2)24(15)30-25(18-14-27-11-10-20(18)29-30)22-17-9-12-28-23(17)21(31-3)13-19(22)26;/h6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;1H
InChIKeyQUVSXONXACTJLY-UHFFFAOYSA-N
XLogP5.36
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 137353356) is 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(OC)c3[nH]ccc13)CNCC2.Cl.
What is the InChIKey of 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is QUVSXONXACTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O.ClH/c1-4-15-7-6-8-16(5-2)24(15)30-25(18-14-27-11-10-20(18)29-30)22-17-9-12-28-23(17)21(31-3)13-19(22)26;/h6-9,12-13,27-28H,4-5,10-11,14H2,1-3H3;1H.
What are the key properties of 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 454.98 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 137353356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).