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

C22H24N4O2 — CID 53018226

IUPAC1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2)c2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C22H24N4O2/c1-25-21-12-13-26(22(27)23-18-10-6-3-7-11-18)14-19(21)20(24-25)16-28-15-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyRKNXTKIRAOPMQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.73
Rot. Bonds5

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

1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018226) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018226
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2)c2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C22H24N4O2/c1-25-21-12-13-26(22(27)23-18-10-6-3-7-11-18)14-19(21)20(24-25)16-28-15-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyRKNXTKIRAOPMQB-UHFFFAOYSA-N
XLogP3.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018226) is 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COCc2ccccc2)c2c1CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is RKNXTKIRAOPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-21-12-13-26(22(27)23-18-10-6-3-7-11-18)14-19(21)20(24-25)16-28-15-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,23,27).
What are the key properties of 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).