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

C23H25FN4O2 — CID 53018262

IUPAC3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c1
InChIInChI=1S/C23H25FN4O2/c1-16-6-5-8-18(12-16)25-23(29)28-11-10-22-19(13-28)21(26-27(22)2)15-30-14-17-7-3-4-9-20(17)24/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29)
InChIKeyDRJOLBGWWGHWAS-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.17
Rot. Bonds5

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

3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018262) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018262
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c1
InChIInChI=1S/C23H25FN4O2/c1-16-6-5-8-18(12-16)25-23(29)28-11-10-22-19(13-28)21(26-27(22)2)15-30-14-17-7-3-4-9-20(17)24/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29)
InChIKeyDRJOLBGWWGHWAS-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.17
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-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018262) is 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is DRJOLBGWWGHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-6-5-8-18(12-16)25-23(29)28-11-10-22-19(13-28)21(26-27(22)2)15-30-14-17-7-3-4-9-20(17)24/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29).
What are the key properties of 3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(2-fluorophenyl)methoxymethyl]-1-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.17, 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-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).