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

C24H28N4O2 — CID 53018230

IUPACN-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-18-9-11-20(12-10-18)25-24(29)28-14-13-23-21(15-28)22(26-27(23)2)17-30-16-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,25,29)
InChIKeyVTIVEARRNURBRN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.29
Rot. Bonds6

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

N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018230) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018230
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-18-9-11-20(12-10-18)25-24(29)28-14-13-23-21(15-28)22(26-27(23)2)17-30-16-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,25,29)
InChIKeyVTIVEARRNURBRN-UHFFFAOYSA-N
XLogP4.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018230) is N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is VTIVEARRNURBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-18-9-11-20(12-10-18)25-24(29)28-14-13-23-21(15-28)22(26-27(23)2)17-30-16-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,25,29).
What are the key properties of N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).