6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C23H23F3N4O3S — CID 68597229

IUPAC6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4ccc(C(=O)C(F)(F)F)cc34)sc2C(=O)N1
InChIInChI=1S/C23H23F3N4O3S/c1-22(2)9-17-18(20(32)29-22)34-21(28-17)30-5-6-33-11-14(30)7-13-10-27-16-4-3-12(8-15(13)16)19(31)23(24,25)26/h3-4,8,10,14,27H,5-7,9,11H2,1-2H3,(H,29,32)/t14-/m0/s1
InChIKeyXERNYOCUYZWHAI-AWEZNQCLSA-N
MW492.52 g/mol
LogP3.88
Rot. Bonds4

About 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 68597229) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID68597229
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4ccc(C(=O)C(F)(F)F)cc34)sc2C(=O)N1
InChIInChI=1S/C23H23F3N4O3S/c1-22(2)9-17-18(20(32)29-22)34-21(28-17)30-5-6-33-11-14(30)7-13-10-27-16-4-3-12(8-15(13)16)19(31)23(24,25)26/h3-4,8,10,14,27H,5-7,9,11H2,1-2H3,(H,29,32)/t14-/m0/s1
InChIKeyXERNYOCUYZWHAI-AWEZNQCLSA-N
XLogP3.88
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 68597229) is 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC1(C)Cc2nc(N3CCOC[C@@H]3Cc3c[nH]c4ccc(C(=O)C(F)(F)F)cc34)sc2C(=O)N1.
What is the InChIKey of 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is XERNYOCUYZWHAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-22(2)9-17-18(20(32)29-22)34-21(28-17)30-5-6-33-11-14(30)7-13-10-27-16-4-3-12(8-15(13)16)19(31)23(24,25)26/h3-4,8,10,14,27H,5-7,9,11H2,1-2H3,(H,29,32)/t14-/m0/s1.
What are the key properties of 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 492.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[(3S)-3-[[5-(2,2,2-trifluoroacetyl)-1H-indol-3-yl]methyl]morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 68597229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).