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

C24H19N3 — CID 11952952

IUPAC[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)c1
InChIInChI=1S/C24H19N3/c25-13-16-4-3-7-20(10-16)23-15-27-24-22(23)12-21(14-26-24)19-9-8-17-5-1-2-6-18(17)11-19/h1-12,14-15H,13,25H2,(H,26,27)
InChIKeyJKQYLRSJYWXBME-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.51
Rot. Bonds3

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

[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine (PubChem CID 11952952) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
PubChem CID11952952
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)c1
InChIInChI=1S/C24H19N3/c25-13-16-4-3-7-20(10-16)23-15-27-24-22(23)12-21(14-26-24)19-9-8-17-5-1-2-6-18(17)11-19/h1-12,14-15H,13,25H2,(H,26,27)
InChIKeyJKQYLRSJYWXBME-UHFFFAOYSA-N
XLogP5.51
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
3-cyclohepta-1,3,6-trien-1-yl-5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 143540440
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995
N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 11952605
N-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]propan-2-amine
CID 167119698
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
N-[[3-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-hydroxyacetamide
CID 90028027

Frequently Asked Questions

What is the IUPAC name of [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The IUPAC name of [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine (CID 11952952) is [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine is NCc1cccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)c1.
What is the InChIKey of [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
The InChIKey is JKQYLRSJYWXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c25-13-16-4-3-7-20(10-16)23-15-27-24-22(23)12-21(14-26-24)19-9-8-17-5-1-2-6-18(17)11-19/h1-12,14-15H,13,25H2,(H,26,27).
What are the key properties of [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine?
[3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine has a molecular weight of 349.44 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanamine is sourced from PubChem (CID 11952952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).