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

C25H29N5O — CID 71521093

IUPAC3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C25H29N5O/c1-4-19-5-7-20(8-6-19)16-26-21-15-24-25(27-17-21)30(18-28-24)22-9-11-23(12-10-22)31-14-13-29(2)3/h5-12,15,17-18,26H,4,13-14,16H2,1-3H3
InChIKeyGVWZCRYRWNQTNW-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.54
Rot. Bonds9

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

3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (PubChem CID 71521093) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
PubChem CID71521093
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C25H29N5O/c1-4-19-5-7-20(8-6-19)16-26-21-15-24-25(27-17-21)30(18-28-24)22-9-11-23(12-10-22)31-14-13-29(2)3/h5-12,15,17-18,26H,4,13-14,16H2,1-3H3
InChIKeyGVWZCRYRWNQTNW-UHFFFAOYSA-N
XLogP4.54
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(aminomethyl)-4-ethoxyphenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71521187
3-(4-ethoxyphenyl)-6-[1-(4-ethylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 174999076
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide
CID 42602700
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 42602773
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine;hydrochloride
CID 127020969
5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
CID 103823979

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine (CID 71521093) is 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
The InChIKey is GVWZCRYRWNQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-19-5-7-20(8-6-19)16-26-21-15-24-25(27-17-21)30(18-28-24)22-9-11-23(12-10-22)31-14-13-29(2)3/h5-12,15,17-18,26H,4,13-14,16H2,1-3H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine?
3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine has a molecular weight of 415.54 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 71521093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).