1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine

C24H25N3O — CID 71520880

IUPAC1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine
SMILESCCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H25N3O/c1-3-18-5-7-19(8-6-18)16-25-21-15-20-13-14-27(24(20)26-17-21)22-9-11-23(12-10-22)28-4-2/h5-15,17,25H,3-4,16H2,1-2H3
InChIKeyILMTZAKFHNSRKU-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.60
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine

1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 71520880) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine
PubChem CID71520880
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine
SMILESCCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H25N3O/c1-3-18-5-7-19(8-6-18)16-25-21-15-20-13-14-27(24(20)26-17-21)22-9-11-23(12-10-22)28-4-2/h5-15,17,25H,3-4,16H2,1-2H3
InChIKeyILMTZAKFHNSRKU-UHFFFAOYSA-N
XLogP5.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine (CID 71520880) is 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine is CCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)cnc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is ILMTZAKFHNSRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-18-5-7-19(8-6-18)16-25-21-15-20-13-14-27(24(20)26-17-21)22-9-11-23(12-10-22)28-4-2/h5-15,17,25H,3-4,16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine?
1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 371.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 71520880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).