(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C22H19FN4O2 — CID 118274368

IUPAC(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCN1Cc2c(C3=CCN4C(=O)OC[C@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21
InChIInChI=1S/C22H19FN4O2/c1-26-10-17-19-15(16-9-13(23)2-3-18(16)26)4-6-24-21(19)25-20(17)12-5-7-27-14(8-12)11-29-22(27)28/h2-6,9,14H,7-8,10-11H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyQRRJBCAOGRMKNV-CQSZACIVSA-N
MW390.42 g/mol
LogP3.93
Rot. Bonds1

About (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 118274368) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID118274368
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCN1Cc2c(C3=CCN4C(=O)OC[C@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21
InChIInChI=1S/C22H19FN4O2/c1-26-10-17-19-15(16-9-13(23)2-3-18(16)26)4-6-24-21(19)25-20(17)12-5-7-27-14(8-12)11-29-22(27)28/h2-6,9,14H,7-8,10-11H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyQRRJBCAOGRMKNV-CQSZACIVSA-N
XLogP3.93
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 118274368) is (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CN1Cc2c(C3=CCN4C(=O)OC[C@H]4C3)[nH]c3nccc(c23)-c2cc(F)ccc21.
What is the InChIKey of (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is QRRJBCAOGRMKNV-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-26-10-17-19-15(16-9-13(23)2-3-18(16)26)4-6-24-21(19)25-20(17)12-5-7-27-14(8-12)11-29-22(27)28/h2-6,9,14H,7-8,10-11H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 390.42 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(4-fluoro-8-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 118274368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).