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

C48H48N6O6 — CID 155812195

IUPAC5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
SMILESCc1cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c1O
InChIInChI=1S/C48H48N6O6/c1-25-21-29-31(23-33(55)45(59)39(29)41-47(49-27-13-5-3-6-14-27)53-19-11-9-17-35(53)51-41)43(57)37(25)38-26(2)22-30-32(44(38)58)24-34(56)46(60)40(30)42-48(50-28-15-7-4-8-16-28)54-20-12-10-18-36(54)52-42/h9-12,17-24,27-28,49-50,55-60H,3-8,13-16H2,1-2H3
InChIKeyZAKLCFPJATXIQV-UHFFFAOYSA-N
MW804.95 g/mol
LogP10.63
Rot. Bonds7

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

5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol (PubChem CID 155812195) has the molecular formula C48H48N6O6 and a molecular weight of 804.95 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
PubChem CID155812195
Molecular FormulaC48H48N6O6
Molecular Weight804.95 g/mol
Exact Mass804.36
IUPAC Name5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
SMILESCc1cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c1O
InChIInChI=1S/C48H48N6O6/c1-25-21-29-31(23-33(55)45(59)39(29)41-47(49-27-13-5-3-6-14-27)53-19-11-9-17-35(53)51-41)43(57)37(25)38-26(2)22-30-32(44(38)58)24-34(56)46(60)40(30)42-48(50-28-15-7-4-8-16-28)54-20-12-10-18-36(54)52-42/h9-12,17-24,27-28,49-50,55-60H,3-8,13-16H2,1-2H3
InChIKeyZAKLCFPJATXIQV-UHFFFAOYSA-N
XLogP10.63
TPSA180.04 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 510.63
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-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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

1-[3-(Tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 138535758
4-(4-Piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
CID 137051911
1-(3-(Cyclopropylamino)imidazo[1,2-a]pyridin-2-yl)naphthalen-2-ol
CID 138535559
1-[3-(Cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535753
1-[3-(Cyclopropylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535774
1-[3-(Benzylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138536025
1-[3-(Tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138536031
1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 138535763
1-[3-(Benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 138535771
1-[3-(Cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 138535818
1-[3-[2-(3,4-Dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535939
5-(1H-benzimidazol-2-yl)-2-[5-(1H-benzimidazol-2-yl)-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol
CID 155808632

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol (CID 155812195) is 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol is Cc1cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(-c3nc4ccccn4c3NC3CCCCC3)c(O)c(O)cc2c1O.
What is the InChIKey of 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
The InChIKey is ZAKLCFPJATXIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N6O6/c1-25-21-29-31(23-33(55)45(59)39(29)41-47(49-27-13-5-3-6-14-27)53-19-11-9-17-35(53)51-41)43(57)37(25)38-26(2)22-30-32(44(38)58)24-34(56)46(60)40(30)42-48(50-28-15-7-4-8-16-28)54-20-12-10-18-36(54)52-42/h9-12,17-24,27-28,49-50,55-60H,3-8,13-16H2,1-2H3.
What are the key properties of 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-3-methylnaphthalene-1,6,7-triol?
5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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 804.95 g/mol, XLogP of 10.63, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-[5-[3-(cyclohexylamino)imidazo[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 155812195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).