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

C23H20F2N4O3 — CID 59244928

IUPAC(2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H20F2N4O3/c24-15-4-5-17(19(25)13-15)22(31)29-7-6-18-20(14-2-1-3-16(30)12-14)26-23(27-21(18)29)28-8-10-32-11-9-28/h1-5,12-13,30H,6-11H2
InChIKeyIQHZECPATNXAIX-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.17
Rot. Bonds3

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

(2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone (PubChem CID 59244928) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone
PubChem CID59244928
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name(2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H20F2N4O3/c24-15-4-5-17(19(25)13-15)22(31)29-7-6-18-20(14-2-1-3-16(30)12-14)26-23(27-21(18)29)28-8-10-32-11-9-28/h1-5,12-13,30H,6-11H2
InChIKeyIQHZECPATNXAIX-UHFFFAOYSA-N
XLogP3.17
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-1H-pyridin-2-one
CID 59244739
3-(2-Morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809443
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 11597582
3-[7-(2,4-Difluorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24890626
3-(3-{2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl}-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 44189562
3-(3-{2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl}-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 44189563
[4-(3-Hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59244397
N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 59244403
4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 59244711
2-(4-Fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244734
[4-(3-Hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 59244901

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone (CID 59244928) is (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone is O=C(c1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone?
The InChIKey is IQHZECPATNXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c24-15-4-5-17(19(25)13-15)22(31)29-7-6-18-20(14-2-1-3-16(30)12-14)26-23(27-21(18)29)28-8-10-32-11-9-28/h1-5,12-13,30H,6-11H2.
What are the key properties of (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone?
(2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone has a molecular weight of 438.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 59244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).