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

C24H28N4O2 — CID 53018238

IUPACN-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1C
InChIInChI=1S/C24H28N4O2/c1-17-8-7-11-21(18(17)2)25-24(29)28-13-12-23-20(14-28)22(26-27(23)3)16-30-15-19-9-5-4-6-10-19/h4-11H,12-16H2,1-3H3,(H,25,29)
InChIKeyLLXFPIAPPYGBMQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.34
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018238) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018238
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1C
InChIInChI=1S/C24H28N4O2/c1-17-8-7-11-21(18(17)2)25-24(29)28-13-12-23-20(14-28)22(26-27(23)3)16-30-15-19-9-5-4-6-10-19/h4-11H,12-16H2,1-3H3,(H,25,29)
InChIKeyLLXFPIAPPYGBMQ-UHFFFAOYSA-N
XLogP4.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018238) is N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4)nn3C)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is LLXFPIAPPYGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-8-7-11-21(18(17)2)25-24(29)28-13-12-23-20(14-28)22(26-27(23)3)16-30-15-19-9-5-4-6-10-19/h4-11H,12-16H2,1-3H3,(H,25,29).
What are the key properties of N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2,3-dimethylphenyl)-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 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).