4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C15H15N3 — CID 71120523

IUPAC4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCc1ccc(-c2ccnc3[nH]cc(N)c23)c(C)c1
InChIInChI=1S/C15H15N3/c1-9-3-4-11(10(2)7-9)12-5-6-17-15-14(12)13(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyDBJLNJYJQPDTHV-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.43
Rot. Bonds1

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

4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 71120523) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID71120523
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCc1ccc(-c2ccnc3[nH]cc(N)c23)c(C)c1
InChIInChI=1S/C15H15N3/c1-9-3-4-11(10(2)7-9)12-5-6-17-15-14(12)13(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyDBJLNJYJQPDTHV-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 71120523) is 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is Cc1ccc(-c2ccnc3[nH]cc(N)c23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is DBJLNJYJQPDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9-3-4-11(10(2)7-9)12-5-6-17-15-14(12)13(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 237.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 71120523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).