5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol

C36H26Cl2N6O6 — CID 155807559

IUPAC5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
SMILESCc1cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c1O
InChIInChI=1S/C36H26Cl2N6O6/c1-13-7-17-19(9-21(45)33(49)27(17)29-35(39)43-11-15(37)3-5-23(43)41-29)31(47)25(13)26-14(2)8-18-20(32(26)48)10-22(46)34(50)28(18)30-36(40)44-12-16(38)4-6-24(44)42-30/h3-12,45-50H,39-40H2,1-2H3
InChIKeyDZOLTEHOISPDTP-UHFFFAOYSA-N
MW709.55 g/mol
LogP7.61
Rot. Bonds3

About 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol

5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol (PubChem CID 155807559) has the molecular formula C36H26Cl2N6O6 and a molecular weight of 709.55 g/mol. Its IUPAC name is 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol.

Molecular Properties

Compound Name5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
PubChem CID155807559
Molecular FormulaC36H26Cl2N6O6
Molecular Weight709.55 g/mol
Exact Mass708.13
IUPAC Name5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
SMILESCc1cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c1O
InChIInChI=1S/C36H26Cl2N6O6/c1-13-7-17-19(9-21(45)33(49)27(17)29-35(39)43-11-15(37)3-5-23(43)41-29)31(47)25(13)26-14(2)8-18-20(32(26)48)10-22(46)34(50)28(18)30-36(40)44-12-16(38)4-6-24(44)42-30/h3-12,45-50H,39-40H2,1-2H3
InChIKeyDZOLTEHOISPDTP-UHFFFAOYSA-N
XLogP7.61
TPSA208.02 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500709.55
LogP ≤ 57.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol with MolForge

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Related Compounds

6-chloro-2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618796
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CID 82530170
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
6-chloro-2-(2-chloro-6-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617429
6-chloro-2-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616923
6-chloro-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63617755
6-chloro-3-methylimidazo[1,2-a]pyridin-2-amine;hydrochloride
CID 67953996
N-[3-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 82530174
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
6-chloro-2-(3-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114488847
6-chloro-2-(1-propylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 103573153

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
The IUPAC name of 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol (CID 155807559) is 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol.
What is the SMILES notation for 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
The canonical SMILES for 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol is Cc1cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccc(Cl)cn4c3N)c(O)c(O)cc2c1O.
What is the InChIKey of 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
The InChIKey is DZOLTEHOISPDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl2N6O6/c1-13-7-17-19(9-21(45)33(49)27(17)29-35(39)43-11-15(37)3-5-23(43)41-29)31(47)25(13)26-14(2)8-18-20(32(26)48)10-22(46)34(50)28(18)30-36(40)44-12-16(38)4-6-24(44)42-30/h3-12,45-50H,39-40H2,1-2H3.
What are the key properties of 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol has a molecular weight of 709.55 g/mol, XLogP of 7.61, 3 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-2-[5-(3-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol is sourced from PubChem (CID 155807559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).