13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one

C17H14F2N4O — CID 71112349

IUPAC13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
SMILESO=c1c2ncc(-c3ccccn3)cc2nc2n1CCC(F)(F)CC2
InChIInChI=1S/C17H14F2N4O/c18-17(19)5-4-14-22-13-9-11(12-3-1-2-7-20-12)10-21-15(13)16(24)23(14)8-6-17/h1-3,7,9-10H,4-6,8H2
InChIKeyRZILGOYCZVMYCB-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.83
Rot. Bonds1

About 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one

13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one (PubChem CID 71112349) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one.

Molecular Properties

Compound Name13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
PubChem CID71112349
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
SMILESO=c1c2ncc(-c3ccccn3)cc2nc2n1CCC(F)(F)CC2
InChIInChI=1S/C17H14F2N4O/c18-17(19)5-4-14-22-13-9-11(12-3-1-2-7-20-12)10-21-15(13)16(24)23(14)8-6-17/h1-3,7,9-10H,4-6,8H2
InChIKeyRZILGOYCZVMYCB-UHFFFAOYSA-N
XLogP2.83
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one with MolForge

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Launch Full Analysis

Related Compounds

12-methyl-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112238
16-methyl-6-pyridin-2-yl-1,4,9,12-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
CID 71112072
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574559
1,8-dimethyl-3-pyridin-2-yl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 71112249
13-methyl-6-(2-pyridin-2-ylethynyl)-13-(trifluoromethyl)-1,4,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one
CID 134243580
14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
CID 71112073
2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine
CID 121280949
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
(8S)-8-methoxy-8-methyl-3-(2-pyridin-2-ylethynyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 67260801
8,8-difluoro-9-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 89285290

Frequently Asked Questions

What is the IUPAC name of 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one?
The IUPAC name of 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one (CID 71112349) is 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one.
What is the SMILES notation for 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one?
The canonical SMILES for 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one is O=c1c2ncc(-c3ccccn3)cc2nc2n1CCC(F)(F)CC2.
What is the InChIKey of 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one?
The InChIKey is RZILGOYCZVMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-17(19)5-4-14-22-13-9-11(12-3-1-2-7-20-12)10-21-15(13)16(24)23(14)8-6-17/h1-3,7,9-10H,4-6,8H2.
What are the key properties of 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one?
13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one has a molecular weight of 328.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one is sourced from PubChem (CID 71112349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).