2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione

C16H10F3N3O2 — CID 170178455

IUPAC2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
SMILESO=C1NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ncc21
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)13-20-7-9-11(21-13)15(14(24)22-12(9)23)6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6H2,(H,22,23,24)
InChIKeyPPTXYNKZOYPJJH-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.00
Rot. Bonds

About 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione

2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione (PubChem CID 170178455) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione.

Molecular Properties

Compound Name2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
PubChem CID170178455
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
SMILESO=C1NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ncc21
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)13-20-7-9-11(21-13)15(14(24)22-12(9)23)6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6H2,(H,22,23,24)
InChIKeyPPTXYNKZOYPJJH-UHFFFAOYSA-N
XLogP2.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5'-sulfanylidene-2'-(2,2,2-trifluoroethylamino)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-7'-one
CID 170178525
(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178209
(3S)-5'-(cyclopropylmethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178205
2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178566
2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
CID 170178448
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
6'-(1,1-difluoroethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
CID 170178424
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
6'-cyclopropylspiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
CID 170178410
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334

Frequently Asked Questions

What is the IUPAC name of 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione?
The IUPAC name of 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione (CID 170178455) is 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione.
What is the SMILES notation for 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione?
The canonical SMILES for 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione is O=C1NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ncc21.
What is the InChIKey of 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione?
The InChIKey is PPTXYNKZOYPJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)13-20-7-9-11(21-13)15(14(24)22-12(9)23)6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6H2,(H,22,23,24).
What are the key properties of 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione?
2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione has a molecular weight of 333.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione is sourced from PubChem (CID 170178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).