5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one

C24H23N5O2 — CID 122186072

IUPAC5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)ccc1=O
InChIInChI=1S/C24H23N5O2/c1-27-15-18(7-8-22(27)30)24-20-16-28(12-10-21(20)25-26-24)19-9-11-29(23(31)13-19)14-17-5-3-2-4-6-17/h2-9,11,13,15H,10,12,14,16H2,1H3,(H,25,26)
InChIKeyULZMCYOFQYWMSL-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.55
Rot. Bonds4

About 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one

5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 122186072) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
PubChem CID122186072
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)ccc1=O
InChIInChI=1S/C24H23N5O2/c1-27-15-18(7-8-22(27)30)24-20-16-28(12-10-21(20)25-26-24)19-9-11-29(23(31)13-19)14-17-5-3-2-4-6-17/h2-9,11,13,15H,10,12,14,16H2,1H3,(H,25,26)
InChIKeyULZMCYOFQYWMSL-UHFFFAOYSA-N
XLogP2.55
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one (CID 122186072) is 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is Cn1cc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)ccc1=O.
What is the InChIKey of 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
The InChIKey is ULZMCYOFQYWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-27-15-18(7-8-22(27)30)24-20-16-28(12-10-21(20)25-26-24)19-9-11-29(23(31)13-19)14-17-5-3-2-4-6-17/h2-9,11,13,15H,10,12,14,16H2,1H3,(H,25,26).
What are the key properties of 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one?
5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 413.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 122186072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).