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

C23H25FN4O2 — CID 53018314

IUPACN-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2ccccc2F)CC3)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-7-9-17(10-8-16)14-30-15-21-18-13-28(12-11-22(18)27(2)26-21)23(29)25-20-6-4-3-5-19(20)24/h3-10H,11-15H2,1-2H3,(H,25,29)
InChIKeyWGOBDCFLLFQPCY-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.17
Rot. Bonds5

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

N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018314) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018314
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2ccccc2F)CC3)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-7-9-17(10-8-16)14-30-15-21-18-13-28(12-11-22(18)27(2)26-21)23(29)25-20-6-4-3-5-19(20)24/h3-10H,11-15H2,1-2H3,(H,25,29)
InChIKeyWGOBDCFLLFQPCY-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 N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018314) is N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2ccccc2F)CC3)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is WGOBDCFLLFQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-7-9-17(10-8-16)14-30-15-21-18-13-28(12-11-22(18)27(2)26-21)23(29)25-20-6-4-3-5-19(20)24/h3-10H,11-15H2,1-2H3,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-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 N-(2-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).