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

C24H21F3N4O3 — CID 59244901

IUPAC[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-5-1-4-16(13-17)22(33)31-8-7-19-20(15-3-2-6-18(32)14-15)28-23(29-21(19)31)30-9-11-34-12-10-30/h1-6,13-14,32H,7-12H2
InChIKeyKXSKJJYNMHCBQU-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]-[3-(trifluoromethyl)phenyl]methanone

[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 59244901) 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]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID59244901
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]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-5-1-4-16(13-17)22(33)31-8-7-19-20(15-3-2-6-18(32)14-15)28-23(29-21(19)31)30-9-11-34-12-10-30/h1-6,13-14,32H,7-12H2
InChIKeyKXSKJJYNMHCBQU-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]-[3-(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

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]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 59244901) is [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(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]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)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]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KXSKJJYNMHCBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)17-5-1-4-16(13-17)22(33)31-8-7-19-20(15-3-2-6-18(32)14-15)28-23(29-21(19)31)30-9-11-34-12-10-30/h1-6,13-14,32H,7-12H2.
What are the key properties of [4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(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]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 59244901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).