1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol

C124H124N18O12 — CID 167683888

IUPAC1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.CC(C)(C)Nc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COCCNc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.COCCNc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COc1ccc(Nc2c(CCc3ccc(C(C)(C)C)cc3)nc3ccccn23)cc1.Oc1ccc2ccccc2c1-c1nc2ccccn2c1NCc1ccccc1
InChIInChI=1S/C26H29N3O.C24H19N3O.C21H21N3O.C20H19N3O2.C17H19N3O3.C16H17N3O4/c1-26(2,3)20-11-8-19(9-12-20)10-17-23-25(29-18-6-5-7-24(29)28-23)27-21-13-15-22(30-4)16-14-21;28-20-14-13-18-10-4-5-11-19(18)22(20)23-24(25-16-17-8-2-1-3-9-17)27-15-7-6-12-21(27)26-23;1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25;1-25-13-11-21-20-19(22-17-8-4-5-12-23(17)20)18-15-7-3-2-6-14(15)9-10-16(18)24;1-17(2,3)19-16-13(18-12-6-4-5-9-20(12)16)10-7-8-11(21)15(23)14(10)22;1-23-9-7-17-16-13(18-12-4-2-3-8-19(12)16)10-5-6-11(20)15(22)14(10)21/h5-9,11-16,18,27H,10,17H2,1-4H3;1-15,25,28H,16H2;4-13,23,25H,1-3H3;2-10,12,21,24H,11,13H2,1H3;4-9,19,21-23H,1-3H3;2-6,8,17,20-22H,7,9H2,1H3
InChIKeyVXXWUONNZFHYGR-UHFFFAOYSA-N
MW2058.47 g/mol
LogP26.14
Rot. Bonds24

About 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol

1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (PubChem CID 167683888) has the molecular formula C124H124N18O12 and a molecular weight of 2058.47 g/mol. Its IUPAC name is 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
PubChem CID167683888
Molecular FormulaC124H124N18O12
Molecular Weight2058.47 g/mol
Exact Mass2056.96
IUPAC Name1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.CC(C)(C)Nc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COCCNc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.COCCNc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COc1ccc(Nc2c(CCc3ccc(C(C)(C)C)cc3)nc3ccccn23)cc1.Oc1ccc2ccccc2c1-c1nc2ccccn2c1NCc1ccccc1
InChIInChI=1S/C26H29N3O.C24H19N3O.C21H21N3O.C20H19N3O2.C17H19N3O3.C16H17N3O4/c1-26(2,3)20-11-8-19(9-12-20)10-17-23-25(29-18-6-5-7-24(29)28-23)27-21-13-15-22(30-4)16-14-21;28-20-14-13-18-10-4-5-11-19(18)22(20)23-24(25-16-17-8-2-1-3-9-17)27-15-7-6-12-21(27)26-23;1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25;1-25-13-11-21-20-19(22-17-8-4-5-12-23(17)20)18-15-7-3-2-6-14(15)9-10-16(18)24;1-17(2,3)19-16-13(18-12-6-4-5-9-20(12)16)10-7-8-11(21)15(23)14(10)22;1-23-9-7-17-16-13(18-12-4-2-3-8-19(12)16)10-5-6-11(20)15(22)14(10)21/h5-9,11-16,18,27H,10,17H2,1-4H3;1-15,25,28H,16H2;4-13,23,25H,1-3H3;2-10,12,21,24H,11,13H2,1H3;4-9,19,21-23H,1-3H3;2-6,8,17,20-22H,7,9H2,1H3
InChIKeyVXXWUONNZFHYGR-UHFFFAOYSA-N
XLogP26.14
TPSA385.74 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.47
LogP ≤ 526.14
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (CID 167683888) is 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is CC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.CC(C)(C)Nc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COCCNc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.COCCNc1c(-c2ccc(O)c(O)c2O)nc2ccccn12.COc1ccc(Nc2c(CCc3ccc(C(C)(C)C)cc3)nc3ccccn23)cc1.Oc1ccc2ccccc2c1-c1nc2ccccn2c1NCc1ccccc1.
What is the InChIKey of 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The InChIKey is VXXWUONNZFHYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O.C24H19N3O.C21H21N3O.C20H19N3O2.C17H19N3O3.C16H17N3O4/c1-26(2,3)20-11-8-19(9-12-20)10-17-23-25(29-18-6-5-7-24(29)28-23)27-21-13-15-22(30-4)16-14-21;28-20-14-13-18-10-4-5-11-19(18)22(20)23-24(25-16-17-8-2-1-3-9-17)27-15-7-6-12-21(27)26-23;1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25;1-25-13-11-21-20-19(22-17-8-4-5-12-23(17)20)18-15-7-3-2-6-14(15)9-10-16(18)24;1-17(2,3)19-16-13(18-12-6-4-5-9-20(12)16)10-7-8-11(21)15(23)14(10)22;1-23-9-7-17-16-13(18-12-4-2-3-8-19(12)16)10-5-6-11(20)15(22)14(10)21/h5-9,11-16,18,27H,10,17H2,1-4H3;1-15,25,28H,16H2;4-13,23,25H,1-3H3;2-10,12,21,24H,11,13H2,1H3;4-9,19,21-23H,1-3H3;2-6,8,17,20-22H,7,9H2,1H3.
What are the key properties of 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol has a molecular weight of 2058.47 g/mol, XLogP of 26.14, 24 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 167683888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).