methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate

C25H19N3O3 — CID 138535934

IUPACmethyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)c1
InChIInChI=1S/C25H19N3O3/c1-31-25(30)17-8-6-9-18(15-17)26-24-23(27-21-11-4-5-14-28(21)24)22-19-10-3-2-7-16(19)12-13-20(22)29/h2-15,26,29H,1H3
InChIKeyIQPJMKZYQWLBBE-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.39
Rot. Bonds4

About methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate

methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate (PubChem CID 138535934) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
PubChem CID138535934
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Namemethyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)c1
InChIInChI=1S/C25H19N3O3/c1-31-25(30)17-8-6-9-18(15-17)26-24-23(27-21-11-4-5-14-28(21)24)22-19-10-3-2-7-16(19)12-13-20(22)29/h2-15,26,29H,1H3
InChIKeyIQPJMKZYQWLBBE-UHFFFAOYSA-N
XLogP5.39
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
N-benzyl-2-[2-(4-tert-butylphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine;methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 167644533
methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176943
methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 136663206
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-[3-[(3-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535983
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445
1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535939
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate (CID 138535934) is methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)c1.
What is the InChIKey of methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate?
The InChIKey is IQPJMKZYQWLBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-31-25(30)17-8-6-9-18(15-17)26-24-23(27-21-11-4-5-14-28(21)24)22-19-10-3-2-7-16(19)12-13-20(22)29/h2-15,26,29H,1H3.
What are the key properties of methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate?
methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate has a molecular weight of 409.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate is sourced from PubChem (CID 138535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).