1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one

C27H24N6O3 — CID 157173454

IUPAC1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C27H24N6O3/c34-21(13-22-14-25(32-36-22)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)33-8-10-35-11-9-33/h1-7,14-17H,8-13H2,(H,29,30,31)
InChIKeyGZTOVOKBZVLCHQ-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.87
Rot. Bonds7

About 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one

1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one (PubChem CID 157173454) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one
PubChem CID157173454
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C27H24N6O3/c34-21(13-22-14-25(32-36-22)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)33-8-10-35-11-9-33/h1-7,14-17H,8-13H2,(H,29,30,31)
InChIKeyGZTOVOKBZVLCHQ-UHFFFAOYSA-N
XLogP3.87
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one with MolForge

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
CID 166632650
6-(Isoxazol-4-yl)-3-(4-piperidin-1-ylmethylphenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 44545550
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
CID 137658687
(3R)-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168281148
4-[2-(4-fluorophenyl)-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267503
US11603374, Example 2
CID 139331206
N-[[4-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]phenyl]methyl]-2-methylpyrimidin-4-amine
CID 138682103
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-phenyl-N-pyrimidin-4-ylpyrrolo[3,2-c]pyridin-4-amine
CID 134806457
[5-(3,5-dimethylisoxazol-4-yl)-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-pyridyl)methanone
CID 86267504
3,5-dimethyl-4-[2-methyl-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]isoxazole
CID 86267305
[5-(3,5-dimethylisoxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-pyridyl)methanol
CID 86267505
3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 117634625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one (CID 157173454) is 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one is O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.
What is the InChIKey of 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?
The InChIKey is GZTOVOKBZVLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c34-21(13-22-14-25(32-36-22)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)33-8-10-35-11-9-33/h1-7,14-17H,8-13H2,(H,29,30,31).
What are the key properties of 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?
1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 480.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 157173454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).