5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

C18H13F3N4O2 — CID 172525423

IUPAC5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCOc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C18H13F3N4O2/c1-24-9-13-12-7-8-14(18(19,20)21)22-16(12)25(17(26)15(13)23-24)10-3-5-11(27-2)6-4-10/h3-9H,1-2H3
InChIKeyVVNNTWNMRVAEGH-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.30
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525423) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525423
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCOc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C18H13F3N4O2/c1-24-9-13-12-7-8-14(18(19,20)21)22-16(12)25(17(26)15(13)23-24)10-3-5-11(27-2)6-4-10/h3-9H,1-2H3
InChIKeyVVNNTWNMRVAEGH-UHFFFAOYSA-N
XLogP3.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525423) is 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is COc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)nc32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is VVNNTWNMRVAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-24-9-13-12-7-8-14(18(19,20)21)22-16(12)25(17(26)15(13)23-24)10-3-5-11(27-2)6-4-10/h3-9H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 374.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).