[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid

C29H25F3N4O5 — CID 67386258

IUPAC[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccc2ccccc2c1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C27H24N4O3.C2HF3O2/c32-22-7-3-6-20(17-22)24-23-10-11-31(25(23)29-27(28-24)30-12-14-34-15-13-30)26(33)21-9-8-18-4-1-2-5-19(18)16-21;3-2(4,5)1(6)7/h1-9,16-17,32H,10-15H2;(H,6,7)
InChIKeyVFWBGESAPVSGRX-UHFFFAOYSA-N
MW566.54 g/mol
LogP4.68
Rot. Bonds3

About [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid

[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 67386258) has the molecular formula C29H25F3N4O5 and a molecular weight of 566.54 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID67386258
Molecular FormulaC29H25F3N4O5
Molecular Weight566.54 g/mol
Exact Mass566.18
IUPAC Name[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccc2ccccc2c1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C27H24N4O3.C2HF3O2/c32-22-7-3-6-20(17-22)24-23-10-11-31(25(23)29-27(28-24)30-12-14-34-15-13-30)26(33)21-9-8-18-4-1-2-5-19(18)16-21;3-2(4,5)1(6)7/h1-9,16-17,32H,10-15H2;(H,6,7)
InChIKeyVFWBGESAPVSGRX-UHFFFAOYSA-N
XLogP4.68
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59244397
N-[4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]phenyl]acetamide
CID 59244869
3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385238
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
3-[7-(1,3-benzothiazol-6-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385462
3-[7-[2-(3,3-dimethylbutylamino)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385625
3-[7-[2-[2-(dimethylamino)ethyl-ethylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385781
(3-hydroxypyrrolidin-1-yl)-[3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 67385114
[3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl] 2,2,2-trifluoroacetate
CID 24889436
3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24889765
acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 91001173

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 67386258) is [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccc2ccccc2c1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VFWBGESAPVSGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3.C2HF3O2/c32-22-7-3-6-20(17-22)24-23-10-11-31(25(23)29-27(28-24)30-12-14-34-15-13-30)26(33)21-9-8-18-4-1-2-5-19(18)16-21;3-2(4,5)1(6)7/h1-9,16-17,32H,10-15H2;(H,6,7).
What are the key properties of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid?
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 566.54 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-naphthalen-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67386258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).