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

C28H32N6O3 — CID 59244345

IUPAC(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccnc3)c2)CC(C)O1
InChIInChI=1S/C28H32N6O3/c1-19-17-33(18-20(2)37-19)27(35)22-6-3-5-21(15-22)25-24-8-10-34(23-7-4-9-29-16-23)26(24)31-28(30-25)32-11-13-36-14-12-32/h3-7,9,15-16,19-20H,8,10-14,17-18H2,1-2H3
InChIKeyDZDBIGXAPZGIMO-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.32
Rot. Bonds4

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

(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone (PubChem CID 59244345) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
PubChem CID59244345
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccnc3)c2)CC(C)O1
InChIInChI=1S/C28H32N6O3/c1-19-17-33(18-20(2)37-19)27(35)22-6-3-5-21(15-22)25-24-8-10-34(23-7-4-9-29-16-23)26(24)31-28(30-25)32-11-13-36-14-12-32/h3-7,9,15-16,19-20H,8,10-14,17-18H2,1-2H3
InChIKeyDZDBIGXAPZGIMO-UHFFFAOYSA-N
XLogP3.32
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzamide
CID 59244252
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
(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-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 59244721
[3-[7-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl] 2,2,2-trifluoroacetate
CID 67385607
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
N-(2-cyclopropylethyl)-3-(2-piperidin-1-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-N-propylbenzamide
CID 163803737
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfinic acid
CID 59244525
[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244568
methyl 3-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]benzoate
CID 59245015
3-[7-(4-methylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 163802662

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone (CID 59244345) is (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone is CC1CN(C(=O)c2cccc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccnc3)c2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone?
The InChIKey is DZDBIGXAPZGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-19-17-33(18-20(2)37-19)27(35)22-6-3-5-21(15-22)25-24-8-10-34(23-7-4-9-29-16-23)26(24)31-28(30-25)32-11-13-36-14-12-32/h3-7,9,15-16,19-20H,8,10-14,17-18H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone has a molecular weight of 500.60 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone is sourced from PubChem (CID 59244345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).