2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone

C19H19N5O2 — CID 149168554

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone
SMILESCc1noc(C)c1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1
InChIInChI=1S/C19H19N5O2/c1-9-10(2)22-23-18(9)16(25)6-13-5-14-7-15(21-19(14)20-8-13)17-11(3)24-26-12(17)4/h5,7-8H,6H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyWYPDLEIUBFXFJO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.60
Rot. Bonds4

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone (PubChem CID 149168554) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone
PubChem CID149168554
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone
SMILESCc1noc(C)c1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1
InChIInChI=1S/C19H19N5O2/c1-9-10(2)22-23-18(9)16(25)6-13-5-14-7-15(21-19(14)20-8-13)17-11(3)24-26-12(17)4/h5,7-8H,6H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyWYPDLEIUBFXFJO-UHFFFAOYSA-N
XLogP3.60
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone (CID 149168554) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone is Cc1noc(C)c1-c1cc2cc(CC(=O)c3n[nH]c(C)c3C)cnc2[nH]1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is WYPDLEIUBFXFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-9-10(2)22-23-18(9)16(25)6-13-5-14-7-15(21-19(14)20-8-13)17-11(3)24-26-12(17)4/h5,7-8H,6H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 349.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 149168554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).