1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine

C23H21N3 — CID 71577885

IUPAC1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3[nH]c4ncccc4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H21N3/c24-23(13-5-14-23)18-11-9-17(10-12-18)21-20(16-6-2-1-3-7-16)19-8-4-15-25-22(19)26-21/h1-4,6-12,15H,5,13-14,24H2,(H,25,26)
InChIKeyJUZGVEHXXYOCPL-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.23
Rot. Bonds3

About 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine

1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 71577885) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID71577885
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3[nH]c4ncccc4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H21N3/c24-23(13-5-14-23)18-11-9-17(10-12-18)21-20(16-6-2-1-3-7-16)19-8-4-15-25-22(19)26-21/h1-4,6-12,15H,5,13-14,24H2,(H,25,26)
InChIKeyJUZGVEHXXYOCPL-UHFFFAOYSA-N
XLogP5.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine (CID 71577885) is 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3[nH]c4ncccc4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is JUZGVEHXXYOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c24-23(13-5-14-23)18-11-9-17(10-12-18)21-20(16-6-2-1-3-7-16)19-8-4-15-25-22(19)26-21/h1-4,6-12,15H,5,13-14,24H2,(H,25,26).
What are the key properties of 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 339.44 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 71577885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).