5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one

C25H22N4O2 — CID 118059787

IUPAC5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(=O)[nH]c3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C25H22N4O2/c1-15-24(17(3)31-28-15)20-11-22-25(27-13-20)21(19-9-10-23(30)26-12-19)14-29(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H,26,30)
InChIKeyINEDDBBVODZZJR-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.27
Rot. Bonds4

About 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one

5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one (PubChem CID 118059787) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one
PubChem CID118059787
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(=O)[nH]c3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C25H22N4O2/c1-15-24(17(3)31-28-15)20-11-22-25(27-13-20)21(19-9-10-23(30)26-12-19)14-29(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H,26,30)
InChIKeyINEDDBBVODZZJR-UHFFFAOYSA-N
XLogP5.27
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

Plx-51107
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3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one
CID 75124304
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392014
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
4-Anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
CID 70689554
5-[1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
CID 118060057
US10112941, Example 1
CID 118196517
3,5-Dimethyl-4-[1-(pyridin-2-ylmethyl)indol-6-yl]-1,2-oxazole
CID 168279632
(3S,4S)-tert-butyl 3-((3-carbamoyl-6-(3-methylisoxazol-5-yl)pyrrolo[1,2-b]pyridazin-4-yl)amino)-4-ethylpyrrolidine-1-carboxylate
CID 68291147
US9725449, Example 224
CID 122686331
Bet-IN-19
CID 121375819
9-benzyl-3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one
CID 75124305

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one (CID 118059787) is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one is Cc1noc(C)c1-c1cnc2c(-c3ccc(=O)[nH]c3)cn(C(C)c3ccccc3)c2c1.
What is the InChIKey of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one?
The InChIKey is INEDDBBVODZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-15-24(17(3)31-28-15)20-11-22-25(27-13-20)21(19-9-10-23(30)26-12-19)14-29(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H,26,30).
What are the key properties of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one?
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one has a molecular weight of 410.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 118059787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).