2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one

C22H19N5O2 — CID 70758898

IUPAC2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C22H19N5O2/c28-20(26-11-10-19-16(13-26)12-23-24-19)14-27-22(29)18-9-5-4-8-17(18)21(25-27)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,24)
InChIKeyLVDTVAIASVCJPL-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one

2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one (PubChem CID 70758898) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one
PubChem CID70758898
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C22H19N5O2/c28-20(26-11-10-19-16(13-26)12-23-24-19)14-27-22(29)18-9-5-4-8-17(18)21(25-27)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,24)
InChIKeyLVDTVAIASVCJPL-UHFFFAOYSA-N
XLogP2.37
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one?
The IUPAC name of 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one (CID 70758898) is 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one?
The canonical SMILES for 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one?
The InChIKey is LVDTVAIASVCJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-20(26-11-10-19-16(13-26)12-23-24-19)14-27-22(29)18-9-5-4-8-17(18)21(25-27)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,24).
What are the key properties of 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one?
2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one has a molecular weight of 385.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one is sourced from PubChem (CID 70758898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).