3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C46H47N9O3 — CID 157089925

IUPAC3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCN(C)c1ccn2cc(-c3ccc(CO)cc3)nc2c1.CN(C)c1ccn2cc(-c3cccc(O)c3)nc2c1.CNc1ccn2cc(-c3ccc(CO)cc3)nc2c1
InChIInChI=1S/C16H17N3O.2C15H15N3O/c1-18(2)14-7-8-19-10-15(17-16(19)9-14)13-5-3-12(11-20)4-6-13;1-17(2)12-6-7-18-10-14(16-15(18)9-12)11-4-3-5-13(19)8-11;1-16-13-6-7-18-9-14(17-15(18)8-13)12-4-2-11(10-19)3-5-12/h3-10,20H,11H2,1-2H3;3-10,19H,1-2H3;2-9,16,19H,10H2,1H3
InChIKeyAENVPPULGDQMNS-UHFFFAOYSA-N
MW773.94 g/mol
LogP7.87
Rot. Bonds8

About 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 157089925) has the molecular formula C46H47N9O3 and a molecular weight of 773.94 g/mol. Its IUPAC name is 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID157089925
Molecular FormulaC46H47N9O3
Molecular Weight773.94 g/mol
Exact Mass773.38
IUPAC Name3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCN(C)c1ccn2cc(-c3ccc(CO)cc3)nc2c1.CN(C)c1ccn2cc(-c3cccc(O)c3)nc2c1.CNc1ccn2cc(-c3ccc(CO)cc3)nc2c1
InChIInChI=1S/C16H17N3O.2C15H15N3O/c1-18(2)14-7-8-19-10-15(17-16(19)9-14)13-5-3-12(11-20)4-6-13;1-17(2)12-6-7-18-10-14(16-15(18)9-12)11-4-3-5-13(19)8-11;1-16-13-6-7-18-9-14(17-15(18)8-13)12-4-2-11(10-19)3-5-12/h3-10,20H,11H2,1-2H3;3-10,19H,1-2H3;2-9,16,19H,10H2,1H3
InChIKeyAENVPPULGDQMNS-UHFFFAOYSA-N
XLogP7.87
TPSA131.10 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 57.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol with MolForge

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Related Compounds

3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(8-Morpholin-4-yl-3-piperazin-1-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 46946050
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine
CID 136219283
5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887391
2,6,9-Trisubstitute purine, 4
CID 54592273
4-[6-[(4-Ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol
CID 71521091
2-[5-[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2-pyridinyl]phenol
CID 155539272
3-[8-(Cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenol
CID 10139060
3-[2-[(4-Methylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 57400039

Frequently Asked Questions

What is the IUPAC name of 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 157089925) is 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is CN(C)c1ccn2cc(-c3ccc(CO)cc3)nc2c1.CN(C)c1ccn2cc(-c3cccc(O)c3)nc2c1.CNc1ccn2cc(-c3ccc(CO)cc3)nc2c1.
What is the InChIKey of 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is AENVPPULGDQMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.2C15H15N3O/c1-18(2)14-7-8-19-10-15(17-16(19)9-14)13-5-3-12(11-20)4-6-13;1-17(2)12-6-7-18-10-14(16-15(18)9-12)11-4-3-5-13(19)8-11;1-16-13-6-7-18-9-14(17-15(18)8-13)12-4-2-11(10-19)3-5-12/h3-10,20H,11H2,1-2H3;3-10,19H,1-2H3;2-9,16,19H,10H2,1H3.
What are the key properties of 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 773.94 g/mol, XLogP of 7.87, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenol;[4-[7-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 157089925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).