3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine

C15H11N3 — CID 152961417

IUPAC3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc2c(c1)CN=C2c1c[nH]c2ncccc12
InChIInChI=1S/C15H11N3/c1-2-5-11-10(4-1)8-17-14(11)13-9-18-15-12(13)6-3-7-16-15/h1-7,9H,8H2,(H,16,18)
InChIKeyUQQJILXUNBMDNB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.91
Rot. Bonds1

About 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine

3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 152961417) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID152961417
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc2c(c1)CN=C2c1c[nH]c2ncccc12
InChIInChI=1S/C15H11N3/c1-2-5-11-10(4-1)8-17-14(11)13-9-18-15-12(13)6-3-7-16-15/h1-7,9H,8H2,(H,16,18)
InChIKeyUQQJILXUNBMDNB-UHFFFAOYSA-N
XLogP2.91
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 152961417) is 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine is c1ccc2c(c1)CN=C2c1c[nH]c2ncccc12.
What is the InChIKey of 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UQQJILXUNBMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-5-11-10(4-1)8-17-14(11)13-9-18-15-12(13)6-3-7-16-15/h1-7,9H,8H2,(H,16,18).
What are the key properties of 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 233.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 152961417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).