5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline

C16H11N3 — CID 59053651

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline
SMILESc1cc(-c2c[nH]c3ncccc23)c2ccncc2c1
InChIInChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19)
InChIKeyAIWIQFCKRNVZDW-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline

5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline (PubChem CID 59053651) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline
PubChem CID59053651
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline
SMILESc1cc(-c2c[nH]c3ncccc23)c2ccncc2c1
InChIInChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19)
InChIKeyAIWIQFCKRNVZDW-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline (CID 59053651) is 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline is c1cc(-c2c[nH]c3ncccc23)c2ccncc2c1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline?
The InChIKey is AIWIQFCKRNVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline?
5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline is sourced from PubChem (CID 59053651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).