5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H22F2N4O3 — CID 53066573

IUPAC5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C23H22F2N4O3/c1-28-20-10-11-29(21(30)14-32-18-8-6-17(25)7-9-18)13-19(20)22(27-28)23(31)26-12-15-2-4-16(24)5-3-15/h2-9H,10-14H2,1H3,(H,26,31)
InChIKeyZXYNPDFGHJVZNM-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.59
Rot. Bonds6

About 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066573) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066573
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C23H22F2N4O3/c1-28-20-10-11-29(21(30)14-32-18-8-6-17(25)7-9-18)13-19(20)22(27-28)23(31)26-12-15-2-4-16(24)5-3-15/h2-9H,10-14H2,1H3,(H,26,31)
InChIKeyZXYNPDFGHJVZNM-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066573) is 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)COc1ccc(F)cc1)C2.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ZXYNPDFGHJVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-28-20-10-11-29(21(30)14-32-18-8-6-17(25)7-9-18)13-19(20)22(27-28)23(31)26-12-15-2-4-16(24)5-3-15/h2-9H,10-14H2,1H3,(H,26,31).
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).