5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C18H13F3N4O — CID 68947273

IUPAC5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(CCC(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)9-8-13-14-15(24-23-13)12-7-4-10-22-16(12)25(17(14)26)11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,23,24)
InChIKeyUMCJORUZJNFLDL-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.76
Rot. Bonds3

About 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 68947273) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID68947273
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(CCC(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)9-8-13-14-15(24-23-13)12-7-4-10-22-16(12)25(17(14)26)11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,23,24)
InChIKeyUMCJORUZJNFLDL-UHFFFAOYSA-N
XLogP3.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 68947273) is 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(CCC(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is UMCJORUZJNFLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)9-8-13-14-15(24-23-13)12-7-4-10-22-16(12)25(17(14)26)11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,23,24).
What are the key properties of 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 358.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 68947273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).