3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine

C24H27N5O — CID 71521187

IUPAC3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1CN
InChIInChI=1S/C24H27N5O/c1-3-17-5-7-18(8-6-17)14-26-20-12-22-24(27-15-20)29(16-28-22)21-9-10-23(30-4-2)19(11-21)13-25/h5-12,15-16,26H,3-4,13-14,25H2,1-2H3
InChIKeyGPTCBVWYDMSRMY-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.45
Rot. Bonds8

About 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine

3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (PubChem CID 71521187) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
PubChem CID71521187
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1CN
InChIInChI=1S/C24H27N5O/c1-3-17-5-7-18(8-6-17)14-26-20-12-22-24(27-15-20)29(16-28-22)21-9-10-23(30-4-2)19(11-21)13-25/h5-12,15-16,26H,3-4,13-14,25H2,1-2H3
InChIKeyGPTCBVWYDMSRMY-UHFFFAOYSA-N
XLogP4.45
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (CID 71521187) is 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1CN.
What is the InChIKey of 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The InChIKey is GPTCBVWYDMSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-17-5-7-18(8-6-17)14-26-20-12-22-24(27-15-20)29(16-28-22)21-9-10-23(30-4-2)19(11-21)13-25/h5-12,15-16,26H,3-4,13-14,25H2,1-2H3.
What are the key properties of 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine has a molecular weight of 401.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 71521187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).