[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone

C24H21F3N4O3 — CID 59244397

IUPAC[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-6-4-15(5-7-17)22(33)31-9-8-19-20(16-2-1-3-18(32)14-16)28-23(29-21(19)31)30-10-12-34-13-11-30/h1-7,14,32H,8-13H2
InChIKeyHRTWSJLQFFJVAA-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.91
Rot. Bonds3

About [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 59244397) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID59244397
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-6-4-15(5-7-17)22(33)31-9-8-19-20(16-2-1-3-18(32)14-16)28-23(29-21(19)31)30-10-12-34-13-11-30/h1-7,14,32H,8-13H2
InChIKeyHRTWSJLQFFJVAA-UHFFFAOYSA-N
XLogP3.91
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone 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

[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
N-[4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]phenyl]acetamide
CID 59244869
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
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
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-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24889765
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-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
(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
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184

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]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 59244397) is [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)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]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HRTWSJLQFFJVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)17-6-4-15(5-7-17)22(33)31-9-8-19-20(16-2-1-3-18(32)14-16)28-23(29-21(19)31)30-10-12-34-13-11-30/h1-7,14,32H,8-13H2.
What are the key properties of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 470.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 59244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).