12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

C28H17N5O2S — CID 140690077

IUPAC12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
SMILESCn1cnc(-c2csc3cc4c5ccccc5n(-c5cc6c(-c7ccccn7)coc6o5)c4nc23)c1
InChIInChI=1S/C28H17N5O2S/c1-32-12-22(30-15-32)20-14-36-24-10-17-16-6-2-3-8-23(16)33(27(17)31-26(20)24)25-11-18-19(13-34-28(18)35-25)21-7-4-5-9-29-21/h2-15H,1H3
InChIKeyIWNYHTBNLLYNQL-UHFFFAOYSA-N
MW487.54 g/mol
LogP7.20
Rot. Bonds3

About 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (PubChem CID 140690077) has the molecular formula C28H17N5O2S and a molecular weight of 487.54 g/mol. Its IUPAC name is 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.

Molecular Properties

Compound Name12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
PubChem CID140690077
Molecular FormulaC28H17N5O2S
Molecular Weight487.54 g/mol
Exact Mass487.11
IUPAC Name12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
SMILESCn1cnc(-c2csc3cc4c5ccccc5n(-c5cc6c(-c7ccccn7)coc6o5)c4nc23)c1
InChIInChI=1S/C28H17N5O2S/c1-32-12-22(30-15-32)20-14-36-24-10-17-16-6-2-3-8-23(16)33(27(17)31-26(20)24)25-11-18-19(13-34-28(18)35-25)21-7-4-5-9-29-21/h2-15H,1H3
InChIKeyIWNYHTBNLLYNQL-UHFFFAOYSA-N
XLogP7.20
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[12-(1-methylimidazol-4-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-yl]-6-phenylfuro[3,2-d][1,3]oxazole
CID 140690395
14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
CID 140690731
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
4-phenyl-6-pyridin-2-ylindolo[2,3-b]quinoline
CID 157124966
5-(6-phenyl-4-pyridin-2-yl-2-pyridinyl)-7-pyridin-2-ylindolo[2,3-b]carbazole
CID 156769318
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603673
5-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603724
2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 163986507

Frequently Asked Questions

What is the IUPAC name of 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?
The IUPAC name of 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (CID 140690077) is 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.
What is the SMILES notation for 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?
The canonical SMILES for 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is Cn1cnc(-c2csc3cc4c5ccccc5n(-c5cc6c(-c7ccccn7)coc6o5)c4nc23)c1.
What is the InChIKey of 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?
The InChIKey is IWNYHTBNLLYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N5O2S/c1-32-12-22(30-15-32)20-14-36-24-10-17-16-6-2-3-8-23(16)33(27(17)31-26(20)24)25-11-18-19(13-34-28(18)35-25)21-7-4-5-9-29-21/h2-15H,1H3.
What are the key properties of 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?
12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene has a molecular weight of 487.54 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-methylimidazol-4-yl)-8-(3-pyridin-2-ylfuro[2,3-b]furan-5-yl)-14-thia-8,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is sourced from PubChem (CID 140690077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).