methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate

C24H24N4O2 — CID 11003904

IUPACmethyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccn3c2NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-27(2)20-13-7-17(8-14-20)16-25-23-22(26-21-6-4-5-15-28(21)23)18-9-11-19(12-10-18)24(29)30-3/h4-15,25H,16H2,1-3H3
InChIKeyLJQWVPCFAUZXLN-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.47
Rot. Bonds6

About methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate

methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 11003904) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID11003904
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Namemethyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccn3c2NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-27(2)20-13-7-17(8-14-20)16-25-23-22(26-21-6-4-5-15-28(21)23)18-9-11-19(12-10-18)24(29)30-3/h4-15,25H,16H2,1-3H3
InChIKeyLJQWVPCFAUZXLN-UHFFFAOYSA-N
XLogP4.47
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
CID 3349532
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate
CID 42743708
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
CID 127040833
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 164835750
N-benzyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 70676789
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
3-[[3-(benzylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 23821919
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate (CID 11003904) is methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate is COC(=O)c1ccc(-c2nc3ccccn3c2NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is LJQWVPCFAUZXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27(2)20-13-7-17(8-14-20)16-25-23-22(26-21-6-4-5-15-28(21)23)18-9-11-19(12-10-18)24(29)30-3/h4-15,25H,16H2,1-3H3.
What are the key properties of methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate?
methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 400.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 11003904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).