1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine

C36H31N9 — CID 69163199

IUPAC1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1
InChIInChI=1S/C8H7N.4C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1/h1-6,9H;3*1-5,9H;1-5H,(H,8,9)
InChIKeyQTSFYDDGXFZYHW-UHFFFAOYSA-N
MW589.71 g/mol
LogP8.42
Rot. Bonds

About 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine

1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine (PubChem CID 69163199) has the molecular formula C36H31N9 and a molecular weight of 589.71 g/mol. Its IUPAC name is 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
PubChem CID69163199
Molecular FormulaC36H31N9
Molecular Weight589.71 g/mol
Exact Mass589.27
IUPAC Name1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1
InChIInChI=1S/C8H7N.4C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1/h1-6,9H;3*1-5,9H;1-5H,(H,8,9)
InChIKeyQTSFYDDGXFZYHW-UHFFFAOYSA-N
XLogP8.42
TPSA130.51 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.71
LogP ≤ 58.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine (CID 69163199) is 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine is c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cc[nH]c2c1.
What is the InChIKey of 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The InChIKey is QTSFYDDGXFZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.4C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1/h1-6,9H;3*1-5,9H;1-5H,(H,8,9).
What are the key properties of 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine has a molecular weight of 589.71 g/mol, XLogP of 8.42, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 69163199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).