2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole

C16H16ClFN4O2S — CID 3854141

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H16ClFN4O2S/c1-9-15(16(17)21(2)20-9)25(23,24)22-6-5-14-12(8-22)11-7-10(18)3-4-13(11)19-14/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyVUDFXSANRWIXTP-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.75
Rot. Bonds2

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 3854141) has the molecular formula C16H16ClFN4O2S and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID3854141
Molecular FormulaC16H16ClFN4O2S
Molecular Weight382.85 g/mol
Exact Mass382.07
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H16ClFN4O2S/c1-9-15(16(17)21(2)20-9)25(23,24)22-6-5-14-12(8-22)11-7-10(18)3-4-13(11)19-14/h3-4,7,19H,5-6,8H2,1-2H3
InChIKeyVUDFXSANRWIXTP-UHFFFAOYSA-N
XLogP2.75
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 3854141) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is VUDFXSANRWIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2S/c1-9-15(16(17)21(2)20-9)25(23,24)22-6-5-14-12(8-22)11-7-10(18)3-4-13(11)19-14/h3-4,7,19H,5-6,8H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 382.85 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 3854141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).