10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one

C23H16F3N5O2 — CID 91045043

IUPAC10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one
SMILESCN1Cc2ncnc(Oc3ccc4c(c3)cc3c5c(C(F)(F)F)cccc5[nH]c(=O)n43)c2C1
InChIInChI=1S/C23H16F3N5O2/c1-30-9-14-17(10-30)27-11-28-21(14)33-13-5-6-18-12(7-13)8-19-20-15(23(24,25)26)3-2-4-16(20)29-22(32)31(18)19/h2-8,11H,9-10H2,1H3,(H,29,32)
InChIKeyFSJOVXSIWGRDQT-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.48
Rot. Bonds2

About 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one

10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one (PubChem CID 91045043) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one
PubChem CID91045043
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Name10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one
SMILESCN1Cc2ncnc(Oc3ccc4c(c3)cc3c5c(C(F)(F)F)cccc5[nH]c(=O)n43)c2C1
InChIInChI=1S/C23H16F3N5O2/c1-30-9-14-17(10-30)27-11-28-21(14)33-13-5-6-18-12(7-13)8-19-20-15(23(24,25)26)3-2-4-16(20)29-22(32)31(18)19/h2-8,11H,9-10H2,1H3,(H,29,32)
InChIKeyFSJOVXSIWGRDQT-UHFFFAOYSA-N
XLogP4.48
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-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 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one?
The IUPAC name of 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one (CID 91045043) is 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one is CN1Cc2ncnc(Oc3ccc4c(c3)cc3c5c(C(F)(F)F)cccc5[nH]c(=O)n43)c2C1.
What is the InChIKey of 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one?
The InChIKey is FSJOVXSIWGRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c1-30-9-14-17(10-30)27-11-28-21(14)33-13-5-6-18-12(7-13)8-19-20-15(23(24,25)26)3-2-4-16(20)29-22(32)31(18)19/h2-8,11H,9-10H2,1H3,(H,29,32).
What are the key properties of 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one?
10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one has a molecular weight of 451.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-1-(trifluoromethyl)-5H-indolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 91045043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).