7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one

C35H23F7N8O2 — CID 159191616

IUPAC7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
SMILESCc1ccccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F.O=c1c2cn[nH]c2c2cnc(-c3ccc(F)cc3)cc2n1CC(F)(F)F
InChIInChI=1S/C18H13F3N4O.C17H10F4N4O/c1-10-4-2-3-5-11(10)14-6-15-12(7-22-14)16-13(8-23-24-16)17(26)25(15)9-18(19,20)21;18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h2-8H,9H2,1H3,(H,23,24);1-7H,8H2,(H,23,24)
InChIKeyKODUVMOTTYAEEL-UHFFFAOYSA-N
MW720.61 g/mol
LogP7.45
Rot. Bonds4

About 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one

7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one (PubChem CID 159191616) has the molecular formula C35H23F7N8O2 and a molecular weight of 720.61 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
PubChem CID159191616
Molecular FormulaC35H23F7N8O2
Molecular Weight720.61 g/mol
Exact Mass720.18
IUPAC Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
SMILESCc1ccccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F.O=c1c2cn[nH]c2c2cnc(-c3ccc(F)cc3)cc2n1CC(F)(F)F
InChIInChI=1S/C18H13F3N4O.C17H10F4N4O/c1-10-4-2-3-5-11(10)14-6-15-12(7-22-14)16-13(8-23-24-16)17(26)25(15)9-18(19,20)21;18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h2-8H,9H2,1H3,(H,23,24);1-7H,8H2,(H,23,24)
InChIKeyKODUVMOTTYAEEL-UHFFFAOYSA-N
XLogP7.45
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.61
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one with MolForge

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Related Compounds

US11597728, Example 330
CID 168058651
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-oxo-2-pyridin-2-yl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393288
US11597728, Example 226
CID 146480718
US11597728, Example 262
CID 146890594
US11597728, Example 440
CID 160873598
US11597728, Example 261
CID 168058616
US11597728, Example 331
CID 168058652
7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180349
7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 86298900
7-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-4-one
CID 86299853
2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 118724610
7-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180347

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one (CID 159191616) is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one is Cc1ccccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F.O=c1c2cn[nH]c2c2cnc(-c3ccc(F)cc3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The InChIKey is KODUVMOTTYAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O.C17H10F4N4O/c1-10-4-2-3-5-11(10)14-6-15-12(7-22-14)16-13(8-23-24-16)17(26)25(15)9-18(19,20)21;18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h2-8H,9H2,1H3,(H,23,24);1-7H,8H2,(H,23,24).
What are the key properties of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one has a molecular weight of 720.61 g/mol, XLogP of 7.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 159191616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).