N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine

C21H23N5O2 — CID 155525826

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cnc(C)[nH]3)nc3ccccn23)cc1OC
InChIInChI=1S/C21H23N5O2/c1-14-23-13-16(24-14)20-21(26-11-5-4-6-19(26)25-20)22-10-9-15-7-8-17(27-2)18(12-15)28-3/h4-8,11-13,22H,9-10H2,1-3H3,(H,23,24)
InChIKeyVIGRXPGDFWCPFR-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 155525826) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID155525826
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cnc(C)[nH]3)nc3ccccn23)cc1OC
InChIInChI=1S/C21H23N5O2/c1-14-23-13-16(24-14)20-21(26-11-5-4-6-19(26)25-20)22-10-9-15-7-8-17(27-2)18(12-15)28-3/h4-8,11-13,22H,9-10H2,1-3H3,(H,23,24)
InChIKeyVIGRXPGDFWCPFR-UHFFFAOYSA-N
XLogP3.70
TPSA76.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
N-(2-(1,3-Benzodioxol-5-YL)ethyl)-1-(2-(1H-imidazol-1-YL)-6-methylpyrimidin-4-YL)-D-prolinamide
CID 16115747
Bay 61-3606
CID 10200390
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine (CID 155525826) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCNc2c(-c3cnc(C)[nH]3)nc3ccccn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VIGRXPGDFWCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-23-13-16(24-14)20-21(26-11-5-4-6-19(26)25-20)22-10-9-15-7-8-17(27-2)18(12-15)28-3/h4-8,11-13,22H,9-10H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155525826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).