4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

C24H23N3 — CID 170449636

IUPAC4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccnc4[nH]ccc34)ccc2C2CCNCC2)cc1
InChIInChI=1S/C24H23N3/c1-2-4-17(5-3-1)23-16-19(6-7-20(23)18-8-12-25-13-9-18)21-10-14-26-24-22(21)11-15-27-24/h1-7,10-11,14-16,18,25H,8-9,12-13H2,(H,26,27)
InChIKeyKEILSANSRDIJFI-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.36
Rot. Bonds3

About 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170449636) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170449636
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccnc4[nH]ccc34)ccc2C2CCNCC2)cc1
InChIInChI=1S/C24H23N3/c1-2-4-17(5-3-1)23-16-19(6-7-20(23)18-8-12-25-13-9-18)21-10-14-26-24-22(21)11-15-27-24/h1-7,10-11,14-16,18,25H,8-9,12-13H2,(H,26,27)
InChIKeyKEILSANSRDIJFI-UHFFFAOYSA-N
XLogP5.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 170449636) is 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2cc(-c3ccnc4[nH]ccc34)ccc2C2CCNCC2)cc1.
What is the InChIKey of 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KEILSANSRDIJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-2-4-17(5-3-1)23-16-19(6-7-20(23)18-8-12-25-13-9-18)21-10-14-26-24-22(21)11-15-27-24/h1-7,10-11,14-16,18,25H,8-9,12-13H2,(H,26,27).
What are the key properties of 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 353.47 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170449636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).