N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

C24H23FN4O2S — CID 2156226

IUPACN-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C24H23FN4O2S/c25-15-10-12-17(13-11-15)29-23(31)22-21(18-8-4-5-9-19(18)27-22)28-24(29)32-14-20(30)26-16-6-2-1-3-7-16/h4-5,8-13,16,27H,1-3,6-7,14H2,(H,26,30)
InChIKeyLISZRSZLSLUSQU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.55
Rot. Bonds5

About N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide (PubChem CID 2156226) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
PubChem CID2156226
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C24H23FN4O2S/c25-15-10-12-17(13-11-15)29-23(31)22-21(18-8-4-5-9-19(18)27-22)28-24(29)32-14-20(30)26-16-6-2-1-3-7-16/h4-5,8-13,16,27H,1-3,6-7,14H2,(H,26,30)
InChIKeyLISZRSZLSLUSQU-UHFFFAOYSA-N
XLogP4.55
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide 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 N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide (CID 2156226) is N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide is O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The InChIKey is LISZRSZLSLUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c25-15-10-12-17(13-11-15)29-23(31)22-21(18-8-4-5-9-19(18)27-22)28-24(29)32-14-20(30)26-16-6-2-1-3-7-16/h4-5,8-13,16,27H,1-3,6-7,14H2,(H,26,30).
What are the key properties of N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2156226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).