3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol

C16H11N3O — CID 118585705

IUPAC3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol
SMILESOc1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C16H11N3O/c20-15-3-1-2-12-9-18-16(8-13(12)15)19-7-5-11-4-6-17-10-14(11)19/h1-10,20H
InChIKeyHHXCJPQGEFSYTD-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.28
Rot. Bonds1

About 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol

3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol (PubChem CID 118585705) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol.

Molecular Properties

Compound Name3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol
PubChem CID118585705
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol
SMILESOc1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C16H11N3O/c20-15-3-1-2-12-9-18-16(8-13(12)15)19-7-5-11-4-6-17-10-14(11)19/h1-10,20H
InChIKeyHHXCJPQGEFSYTD-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol?
The IUPAC name of 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol (CID 118585705) is 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol.
What is the SMILES notation for 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol?
The canonical SMILES for 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol is Oc1cccc2cnc(-n3ccc4ccncc43)cc12.
What is the InChIKey of 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol?
The InChIKey is HHXCJPQGEFSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-15-3-1-2-12-9-18-16(8-13(12)15)19-7-5-11-4-6-17-10-14(11)19/h1-10,20H.
What are the key properties of 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol?
3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol has a molecular weight of 261.28 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-ol is sourced from PubChem (CID 118585705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).