7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine

C22H19N5 — CID 158484036

IUPAC7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine
SMILESC1=Cc2ccncc2C1.c1cc2[nH]ccc2cn1.c1cc2c[nH]cc2cn1
InChIInChI=1S/C8H7N.2C7H6N2/c1-2-7-4-5-9-6-8(7)3-1;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7/h1-2,4-6H,3H2;2*1-5,9H
InChIKeyHHWGXLBRHANMSI-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.78
Rot. Bonds

About 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine

7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine (PubChem CID 158484036) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine
PubChem CID158484036
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine
SMILESC1=Cc2ccncc2C1.c1cc2[nH]ccc2cn1.c1cc2c[nH]cc2cn1
InChIInChI=1S/C8H7N.2C7H6N2/c1-2-7-4-5-9-6-8(7)3-1;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7/h1-2,4-6H,3H2;2*1-5,9H
InChIKeyHHWGXLBRHANMSI-UHFFFAOYSA-N
XLogP4.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine (CID 158484036) is 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine is C1=Cc2ccncc2C1.c1cc2[nH]ccc2cn1.c1cc2c[nH]cc2cn1.
What is the InChIKey of 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine?
The InChIKey is HHWGXLBRHANMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.2C7H6N2/c1-2-7-4-5-9-6-8(7)3-1;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7/h1-2,4-6H,3H2;2*1-5,9H.
What are the key properties of 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine?
7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine has a molecular weight of 353.43 g/mol, XLogP of 4.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158484036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).