4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C43H39ClN6O3 — CID 145396865

IUPAC4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)ccc1O.COc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1
InChIInChI=1S/C22H21N3O.C21H18ClN3O2/c1-15-7-4-5-9-19(15)23-22-21(17-11-13-18(26-3)14-12-17)24-20-10-6-8-16(2)25(20)22;1-13-5-3-4-6-16(13)23-21-20(14-7-9-17(26)18(11-14)27-2)24-19-10-8-15(22)12-25(19)21/h4-14,23H,1-3H3;3-12,23,26H,1-2H3
InChIKeyBJOUOMUGFHLDRO-UHFFFAOYSA-N
MW723.28 g/mol
LogP10.79
Rot. Bonds8

About 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 145396865) has the molecular formula C43H39ClN6O3 and a molecular weight of 723.28 g/mol. Its IUPAC name is 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID145396865
Molecular FormulaC43H39ClN6O3
Molecular Weight723.28 g/mol
Exact Mass722.28
IUPAC Name4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)ccc1O.COc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1
InChIInChI=1S/C22H21N3O.C21H18ClN3O2/c1-15-7-4-5-9-19(15)23-22-21(17-11-13-18(26-3)14-12-17)24-20-10-6-8-16(2)25(20)22;1-13-5-3-4-6-16(13)23-21-20(14-7-9-17(26)18(11-14)27-2)24-19-10-8-15(22)12-25(19)21/h4-14,23H,1-3H3;3-12,23,26H,1-2H3
InChIKeyBJOUOMUGFHLDRO-UHFFFAOYSA-N
XLogP10.79
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.28
LogP ≤ 510.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
4-[3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 7106793
4-{3-[(4-Chlorophenyl)amino]-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl}-2-methoxyphenol
CID 15988928
2-Methoxy-4-{3-[(4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}phenol
CID 135476825
4-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol
CID 135476877
5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368571
2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
CID 137368580
4-(3-Aminoimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol
CID 689218
4-{3-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-imidazo[1,2-a]pyridin-2-yl}-phenol
CID 650218
2-Methoxy-5-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 1446279
4-[3-(1,3-Benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 3205771
4-[3-(1,3-Benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenol
CID 3205780

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 145396865) is 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)ccc1O.COc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1.
What is the InChIKey of 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BJOUOMUGFHLDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C21H18ClN3O2/c1-15-7-4-5-9-19(15)23-22-21(17-11-13-18(26-3)14-12-17)24-20-10-6-8-16(2)25(20)22;1-13-5-3-4-6-16(13)23-21-20(14-7-9-17(26)18(11-14)27-2)24-19-10-8-15(22)12-25(19)21/h4-14,23H,1-3H3;3-12,23,26H,1-2H3.
What are the key properties of 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 723.28 g/mol, XLogP of 10.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 145396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).