(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

C23H21FN6O3S — CID 118937025

IUPAC(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1
InChIKeyGIFAJHOCMLHJDR-VXGBXAGGSA-N
MW480.53 g/mol
LogP3.83
Rot. Bonds4

About (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one

(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (PubChem CID 118937025) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.

Molecular Properties

Compound Name(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
PubChem CID118937025
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC Name(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
SMILESC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1
InChIKeyGIFAJHOCMLHJDR-VXGBXAGGSA-N
XLogP3.83
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one with MolForge

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

Launch Full Analysis

Related Compounds

(15S)-5-[[6-fluoro-2-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 142431444
(15R)-5-[[6-fluoro-2-(1-methylpiperidin-3-yl)oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 118936993
(15R)-5-[[6-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 118936991
5-[[6-chloro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 118937042
(15R)-15-ethyl-5-[[6-fluoro-2-(1-methylpiperidin-3-yl)oxypyrimidin-4-yl]amino]-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 166855175
(15R)-5-[(6-chloro-2-ethoxypyrimidin-4-yl)amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 138525201
(15R)-5-[[6-fluoro-2-[[4-[[1-[[4-fluoro-6-[[(15R)-15-methyl-13-oxo-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-5-yl]amino]pyrimidin-2-yl]methyl]piperidin-3-yl]methyl]piperazin-1-yl]methyl]pyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 145047101
(15S)-5-[(6-fluoropyrimidin-4-yl)amino]-15-(methylaminomethyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 142431481
(15R)-5-[[2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-yl]-methylamino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 145047140
(15R)-15-(aminomethyl)-5-[(6-fluoropyrimidin-4-yl)amino]-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 118936937
2-chloro-4-[[(15R)-15-methyl-13-oxo-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-5-yl]amino]-N-(oxetan-3-yl)pyrimidine-5-carboxamide
CID 118936952
(15S)-5-[2-chloro-5-(oxan-4-yloxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
CID 142431534

Frequently Asked Questions

What is the IUPAC name of (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The IUPAC name of (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (CID 118937025) is (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one.
What is the SMILES notation for (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The canonical SMILES for (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1.
What is the InChIKey of (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
The InChIKey is GIFAJHOCMLHJDR-VXGBXAGGSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1.
What are the key properties of (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one?
(15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one has a molecular weight of 480.53 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-5-[[6-fluoro-2-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one is sourced from PubChem (CID 118937025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).