5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C23H23N5O3 — CID 18570557

IUPAC5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H23N5O3/c1-16-8-6-11-20(24-16)25-22(29)18-14-27(12-7-13-31-2)15-19-21(18)26-28(23(19)30)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,29)
InChIKeyMPZVLGBNRLWQLZ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.13
Rot. Bonds7

About 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570557) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570557
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H23N5O3/c1-16-8-6-11-20(24-16)25-22(29)18-14-27(12-7-13-31-2)15-19-21(18)26-28(23(19)30)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,29)
InChIKeyMPZVLGBNRLWQLZ-UHFFFAOYSA-N
XLogP3.13
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570557) is 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is COCCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is MPZVLGBNRLWQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-16-8-6-11-20(24-16)25-22(29)18-14-27(12-7-13-31-2)15-19-21(18)26-28(23(19)30)17-9-4-3-5-10-17/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,29).
What are the key properties of 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).