N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide

C27H20FN5OS — CID 143364125

IUPACN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide
SMILESCN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)c1cnc[nH]1
InChIInChI=1S/C27H20FN5OS/c1-33(35(34)24-15-29-16-31-24)20-11-12-23-21(13-20)26-25(18-5-3-2-4-6-18)22(14-30-27(26)32-23)17-7-9-19(28)10-8-17/h2-16H,1H3,(H,29,31)(H,30,32)
InChIKeyFSCDWKCCXRHLDE-UHFFFAOYSA-N
MW481.56 g/mol
LogP6.07
Rot. Bonds5

About N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide

N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide (PubChem CID 143364125) has the molecular formula C27H20FN5OS and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide
PubChem CID143364125
Molecular FormulaC27H20FN5OS
Molecular Weight481.56 g/mol
Exact Mass481.14
IUPAC NameN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide
SMILESCN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)c1cnc[nH]1
InChIInChI=1S/C27H20FN5OS/c1-33(35(34)24-15-29-16-31-24)20-11-12-23-21(13-20)26-25(18-5-3-2-4-6-18)22(14-30-27(26)32-23)17-7-9-19(28)10-8-17/h2-16H,1H3,(H,29,31)(H,30,32)
InChIKeyFSCDWKCCXRHLDE-UHFFFAOYSA-N
XLogP6.07
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide (CID 143364125) is N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide is CN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)c1cnc[nH]1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide?
The InChIKey is FSCDWKCCXRHLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5OS/c1-33(35(34)24-15-29-16-31-24)20-11-12-23-21(13-20)26-25(18-5-3-2-4-6-18)22(14-30-27(26)32-23)17-7-9-19(28)10-8-17/h2-16H,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide?
N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide has a molecular weight of 481.56 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-1H-imidazole-5-sulfinamide is sourced from PubChem (CID 143364125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).