[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine

C20H17N3 — CID 11953177

IUPAC[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H17N3/c21-11-14-6-8-16(9-7-14)19-13-23-20-18(19)10-17(12-22-20)15-4-2-1-3-5-15/h1-10,12-13H,11,21H2,(H,22,23)
InChIKeyKZJUWSNJQLYDFA-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.36
Rot. Bonds3

About [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine

[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine (PubChem CID 11953177) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
PubChem CID11953177
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H17N3/c21-11-14-6-8-16(9-7-14)19-13-23-20-18(19)10-17(12-22-20)15-4-2-1-3-5-15/h1-10,12-13H,11,21H2,(H,22,23)
InChIKeyKZJUWSNJQLYDFA-UHFFFAOYSA-N
XLogP4.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The IUPAC name of [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine (CID 11953177) is [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine is NCc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.
What is the InChIKey of [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The InChIKey is KZJUWSNJQLYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-11-14-6-8-16(9-7-14)19-13-23-20-18(19)10-17(12-22-20)15-4-2-1-3-5-15/h1-10,12-13H,11,21H2,(H,22,23).
What are the key properties of [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine is sourced from PubChem (CID 11953177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).