7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide

C35H30FIN6 — CID 158006586

IUPAC7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
SMILESC.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.I.[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C18H15N3.C16H10FN3.CH4.HI/c1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;;/h3-11H,1-2H3;1-9,20H;1H4;1H/i;17-1;;
InChIKeyJZRPYYBKVCEMIT-WIVKOTFSSA-N
MW679.57 g/mol
LogP9.27
Rot. Bonds2

About 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide

7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide (PubChem CID 158006586) has the molecular formula C35H30FIN6 and a molecular weight of 679.57 g/mol. Its IUPAC name is 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide.

Molecular Properties

Compound Name7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
PubChem CID158006586
Molecular FormulaC35H30FIN6
Molecular Weight679.57 g/mol
Exact Mass679.16
IUPAC Name7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
SMILESC.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.I.[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C18H15N3.C16H10FN3.CH4.HI/c1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;;/h3-11H,1-2H3;1-9,20H;1H4;1H/i;17-1;;
InChIKeyJZRPYYBKVCEMIT-WIVKOTFSSA-N
XLogP9.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.57
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide?
The IUPAC name of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide (CID 158006586) is 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide.
What is the SMILES notation for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide?
The canonical SMILES for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide is C.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.I.[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide?
The InChIKey is JZRPYYBKVCEMIT-WIVKOTFSSA-N. The full InChI is InChI=1S/C18H15N3.C16H10FN3.CH4.HI/c1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;;/h3-11H,1-2H3;1-9,20H;1H4;1H/i;17-1;;.
What are the key properties of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide?
7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide has a molecular weight of 679.57 g/mol, XLogP of 9.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide is sourced from PubChem (CID 158006586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).