4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one

C18H10F3N3OS — CID 2310874

IUPAC4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)11-7-8-15(22-10-11)24-17(25)13-5-2-1-4-12(13)16(23-24)14-6-3-9-26-14/h1-10H
InChIKeyWCISLNWAJFIKQY-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.53
Rot. Bonds2

About 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one

4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one (PubChem CID 2310874) has the molecular formula C18H10F3N3OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one.

Molecular Properties

Compound Name4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one
PubChem CID2310874
Molecular FormulaC18H10F3N3OS
Molecular Weight373.36 g/mol
Exact Mass373.05
IUPAC Name4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)11-7-8-15(22-10-11)24-17(25)13-5-2-1-4-12(13)16(23-24)14-6-3-9-26-14/h1-10H
InChIKeyWCISLNWAJFIKQY-UHFFFAOYSA-N
XLogP4.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one?
The IUPAC name of 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one (CID 2310874) is 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one.
What is the SMILES notation for 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one?
The canonical SMILES for 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one is O=c1c2ccccc2c(-c2cccs2)nn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one?
The InChIKey is WCISLNWAJFIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3OS/c19-18(20,21)11-7-8-15(22-10-11)24-17(25)13-5-2-1-4-12(13)16(23-24)14-6-3-9-26-14/h1-10H.
What are the key properties of 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one?
4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one has a molecular weight of 373.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 2310874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).