2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine

C20H18Cl2FN3O — CID 67377526

IUPAC2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine
SMILESCN1CC=C2NN(c3cc(Cl)ccc3Cl)CC2=C1COc1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O/c1-25-9-8-18-16(20(25)12-27-15-5-3-14(23)4-6-15)11-26(24-18)19-10-13(21)2-7-17(19)22/h2-8,10,24H,9,11-12H2,1H3
InChIKeyUZOXMQWLQZPVQL-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.62
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine

2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 67377526) has the molecular formula C20H18Cl2FN3O and a molecular weight of 406.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID67377526
Molecular FormulaC20H18Cl2FN3O
Molecular Weight406.29 g/mol
Exact Mass405.08
IUPAC Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine
SMILESCN1CC=C2NN(c3cc(Cl)ccc3Cl)CC2=C1COc1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O/c1-25-9-8-18-16(20(25)12-27-15-5-3-14(23)4-6-15)11-26(24-18)19-10-13(21)2-7-17(19)22/h2-8,10,24H,9,11-12H2,1H3
InChIKeyUZOXMQWLQZPVQL-UHFFFAOYSA-N
XLogP4.62
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine (CID 67377526) is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine is CN1CC=C2NN(c3cc(Cl)ccc3Cl)CC2=C1COc1ccc(F)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is UZOXMQWLQZPVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O/c1-25-9-8-18-16(20(25)12-27-15-5-3-14(23)4-6-15)11-26(24-18)19-10-13(21)2-7-17(19)22/h2-8,10,24H,9,11-12H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine?
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 406.29 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-3,6-dihydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 67377526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).