5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C18H22N4O3 — CID 110248212

IUPAC5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccc(OC)cc2)Cc2cn(C)nc21
InChIInChI=1S/C18H22N4O3/c1-19-18(24)15-11-22(10-13-9-21(2)20-17(13)15)16(23)8-12-4-6-14(25-3)7-5-12/h4-7,9,15H,8,10-11H2,1-3H3,(H,19,24)
InChIKeyFGUBFHQTFLVGDD-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.84
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248212) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248212
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccc(OC)cc2)Cc2cn(C)nc21
InChIInChI=1S/C18H22N4O3/c1-19-18(24)15-11-22(10-13-9-21(2)20-17(13)15)16(23)8-12-4-6-14(25-3)7-5-12/h4-7,9,15H,8,10-11H2,1-3H3,(H,19,24)
InChIKeyFGUBFHQTFLVGDD-UHFFFAOYSA-N
XLogP0.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248212) is 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is CNC(=O)C1CN(C(=O)Cc2ccc(OC)cc2)Cc2cn(C)nc21.
What is the InChIKey of 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is FGUBFHQTFLVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19-18(24)15-11-22(10-13-9-21(2)20-17(13)15)16(23)8-12-4-6-14(25-3)7-5-12/h4-7,9,15H,8,10-11H2,1-3H3,(H,19,24).
What are the key properties of 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)acetyl]-N,2-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).