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

C24H27FN4O2 — CID 53018263

IUPACN-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c(C)c1
InChIInChI=1S/C24H27FN4O2/c1-16-8-9-21(17(2)12-16)26-24(30)29-11-10-23-19(13-29)22(27-28(23)3)15-31-14-18-6-4-5-7-20(18)25/h4-9,12H,10-11,13-15H2,1-3H3,(H,26,30)
InChIKeyHCNYSVLRNFREPH-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.48
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018263) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018263
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c(C)c1
InChIInChI=1S/C24H27FN4O2/c1-16-8-9-21(17(2)12-16)26-24(30)29-11-10-23-19(13-29)22(27-28(23)3)15-31-14-18-6-4-5-7-20(18)25/h4-9,12H,10-11,13-15H2,1-3H3,(H,26,30)
InChIKeyHCNYSVLRNFREPH-UHFFFAOYSA-N
XLogP4.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018263) is N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is HCNYSVLRNFREPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-8-9-21(17(2)12-16)26-24(30)29-11-10-23-19(13-29)22(27-28(23)3)15-31-14-18-6-4-5-7-20(18)25/h4-9,12H,10-11,13-15H2,1-3H3,(H,26,30).
What are the key properties of N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).