3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine

C22H23N5O — CID 71520979

IUPAC3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)nc1
InChIInChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)12-23-18-11-20-22(25-13-18)27(15-26-20)21-10-9-19(14-24-21)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3
InChIKeyZPHWVWUIDMOUMV-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds7

About 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine

3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (PubChem CID 71520979) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
PubChem CID71520979
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)nc1
InChIInChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)12-23-18-11-20-22(25-13-18)27(15-26-20)21-10-9-19(14-24-21)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3
InChIKeyZPHWVWUIDMOUMV-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (CID 71520979) is 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)nc1.
What is the InChIKey of 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The InChIKey is ZPHWVWUIDMOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-16-5-7-17(8-6-16)12-23-18-11-20-22(25-13-18)27(15-26-20)21-10-9-19(14-24-21)28-4-2/h5-11,13-15,23H,3-4,12H2,1-2H3.
What are the key properties of 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine has a molecular weight of 373.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 71520979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).