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

C23H26N4O2 — CID 53018386

IUPACN-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-3-17-9-11-18(12-10-17)24-23(28)27-14-13-22-20(15-27)21(25-26(22)2)16-29-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,28)
InChIKeyPXMHNTIBHKAAQT-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.15
Rot. Bonds5

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

N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018386) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018386
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-3-17-9-11-18(12-10-17)24-23(28)27-14-13-22-20(15-27)21(25-26(22)2)16-29-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,28)
InChIKeyPXMHNTIBHKAAQT-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018386) is N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PXMHNTIBHKAAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-17-9-11-18(12-10-17)24-23(28)27-14-13-22-20(15-27)21(25-26(22)2)16-29-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.15, 5 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-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).