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

C23H25FN4O2 — CID 53018334

IUPACN-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C23H25FN4O2/c1-27-22-10-11-28(23(29)25-13-17-6-3-2-4-7-17)14-20(22)21(26-27)16-30-15-18-8-5-9-19(24)12-18/h2-9,12H,10-11,13-16H2,1H3,(H,25,29)
InChIKeyOTMGDUJIMSRKKG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.54
Rot. Bonds6

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

N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018334) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018334
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C23H25FN4O2/c1-27-22-10-11-28(23(29)25-13-17-6-3-2-4-7-17)14-20(22)21(26-27)16-30-15-18-8-5-9-19(24)12-18/h2-9,12H,10-11,13-16H2,1H3,(H,25,29)
InChIKeyOTMGDUJIMSRKKG-UHFFFAOYSA-N
XLogP3.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018334) is N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)NCc1ccccc1)C2.
What is the InChIKey of N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is OTMGDUJIMSRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-22-10-11-28(23(29)25-13-17-6-3-2-4-7-17)14-20(22)21(26-27)16-30-15-18-8-5-9-19(24)12-18/h2-9,12H,10-11,13-16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).