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

C22H23FN4O2 — CID 53018255

IUPAC3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C22H23FN4O2/c1-26-21-11-12-27(22(28)24-17-8-3-2-4-9-17)13-18(21)20(25-26)15-29-14-16-7-5-6-10-19(16)23/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyZKRGCBKVBWMHFD-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.87
Rot. Bonds5

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

3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018255) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018255
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C22H23FN4O2/c1-26-21-11-12-27(22(28)24-17-8-3-2-4-9-17)13-18(21)20(25-26)15-29-14-16-7-5-6-10-19(16)23/h2-10H,11-15H2,1H3,(H,24,28)
InChIKeyZKRGCBKVBWMHFD-UHFFFAOYSA-N
XLogP3.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018255) is 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is ZKRGCBKVBWMHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-26-21-11-12-27(22(28)24-17-8-3-2-4-9-17)13-18(21)20(25-26)15-29-14-16-7-5-6-10-19(16)23/h2-10H,11-15H2,1H3,(H,24,28).
What are the key properties of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).