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

C22H24N4O2 — CID 53018390

IUPAC1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-8-10-17(11-9-16)23-22(27)26-13-12-21-19(14-26)20(24-25(21)2)15-28-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,27)
InChIKeyRVMPGYIPJRBOEF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds4

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

1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018390) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018390
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-8-10-17(11-9-16)23-22(27)26-13-12-21-19(14-26)20(24-25(21)2)15-28-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,27)
InChIKeyRVMPGYIPJRBOEF-UHFFFAOYSA-N
XLogP3.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018390) is 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is RVMPGYIPJRBOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-8-10-17(11-9-16)23-22(27)26-13-12-21-19(14-26)20(24-25(21)2)15-28-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).