5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C16H16N4O — CID 177356268

IUPAC5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc2c(-n3ccc4c(c3=O)CCN4)ccnc2n1C
InChIInChI=1S/C16H16N4O/c1-10-9-12-14(4-7-18-15(12)19(10)2)20-8-5-13-11(16(20)21)3-6-17-13/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyCXIBIXJZNWXLPW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.00
Rot. Bonds1

About 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 177356268) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID177356268
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc2c(-n3ccc4c(c3=O)CCN4)ccnc2n1C
InChIInChI=1S/C16H16N4O/c1-10-9-12-14(4-7-18-15(12)19(10)2)20-8-5-13-11(16(20)21)3-6-17-13/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyCXIBIXJZNWXLPW-UHFFFAOYSA-N
XLogP2.00
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 177356268) is 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc2c(-n3ccc4c(c3=O)CCN4)ccnc2n1C.
What is the InChIKey of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CXIBIXJZNWXLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-9-12-14(4-7-18-15(12)19(10)2)20-8-5-13-11(16(20)21)3-6-17-13/h4-5,7-9,17H,3,6H2,1-2H3.
What are the key properties of 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 177356268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).