6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one

C13H11N3O — CID 56886529

IUPAC6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCn1ccc2c(-c3cccc(=O)[nH]3)ccnc21
InChIInChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17)
InChIKeyXIPCJOQFMIRJBD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds1

About 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one

6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (PubChem CID 56886529) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
PubChem CID56886529
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCn1ccc2c(-c3cccc(=O)[nH]3)ccnc21
InChIInChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17)
InChIKeyXIPCJOQFMIRJBD-UHFFFAOYSA-N
XLogP1.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Olprinone
CID 4593
1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Olprinone hydrochloride
CID 115227
Stk16-IN-1
CID 58525066
Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895
N-{6-[6-Amino-5-(Trifluoromethyl)pyridin-3-Yl]imidazo[1,2-A]pyridin-2-Yl}acetamide
CID 59251679
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)acetamide
CID 44444217
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516
N-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]prop-2-enamide
CID 118475723
N-[3-(7H-Pyrrolo[2,3-D]pyrimidin-4-YL)phenyl]-2-propenamide
CID 132277003
2-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962806

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (CID 56886529) is 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is Cn1ccc2c(-c3cccc(=O)[nH]3)ccnc21.
What is the InChIKey of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is XIPCJOQFMIRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17).
What are the key properties of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 56886529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).