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

C23H26N4O2 — CID 53018240

IUPAC1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccccc1NC(=O)N1CCc2c(c(COCc3ccccc3)nn2C)C1
InChIInChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)24-23(28)27-13-12-22-19(14-27)21(25-26(22)2)16-29-15-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,24,28)
InChIKeyAFDXYNXGUCAYCA-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.04
Rot. Bonds5

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

1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018240) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018240
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccccc1NC(=O)N1CCc2c(c(COCc3ccccc3)nn2C)C1
InChIInChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)24-23(28)27-13-12-22-19(14-27)21(25-26(22)2)16-29-15-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,24,28)
InChIKeyAFDXYNXGUCAYCA-UHFFFAOYSA-N
XLogP4.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018240) is 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccccc1NC(=O)N1CCc2c(c(COCc3ccccc3)nn2C)C1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is AFDXYNXGUCAYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-8-6-7-11-20(17)24-23(28)27-13-12-22-19(14-27)21(25-26(22)2)16-29-15-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,24,28).
What are the key properties of 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).