3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C23H18F4N6O2 — CID 50833817

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C23H18F4N6O2/c1-32-18-10-11-33(22(34)28-17-9-5-3-7-15(17)23(25,26)27)12-14(18)19(31-32)21-30-29-20(35-21)13-6-2-4-8-16(13)24/h2-9H,10-12H2,1H3,(H,28,34)
InChIKeyPYQBPWHRJVGYRA-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.89
Rot. Bonds3

About 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 50833817) has the molecular formula C23H18F4N6O2 and a molecular weight of 486.43 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID50833817
Molecular FormulaC23H18F4N6O2
Molecular Weight486.43 g/mol
Exact Mass486.14
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C23H18F4N6O2/c1-32-18-10-11-33(22(34)28-17-9-5-3-7-15(17)23(25,26)27)12-14(18)19(31-32)21-30-29-20(35-21)13-6-2-4-8-16(13)24/h2-9H,10-12H2,1H3,(H,28,34)
InChIKeyPYQBPWHRJVGYRA-UHFFFAOYSA-N
XLogP4.89
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 50833817) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PYQBPWHRJVGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O2/c1-32-18-10-11-33(22(34)28-17-9-5-3-7-15(17)23(25,26)27)12-14(18)19(31-32)21-30-29-20(35-21)13-6-2-4-8-16(13)24/h2-9H,10-12H2,1H3,(H,28,34).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 486.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 50833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).