3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one

C23H21ClFN3O3S — CID 70001693

IUPAC3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one
SMILESCS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Nc3ccc(Cl)cn3)C2=O)c1F
InChIInChI=1S/C23H21ClFN3O3S/c1-32(30,31)22-17(15-6-3-2-4-7-15)10-11-19(21(22)25)28-13-5-8-18(23(28)29)27-20-12-9-16(24)14-26-20/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,26,27)
InChIKeySPGPTBDTLFOQSY-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.55
Rot. Bonds5

About 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one

3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one (PubChem CID 70001693) has the molecular formula C23H21ClFN3O3S and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one
PubChem CID70001693
Molecular FormulaC23H21ClFN3O3S
Molecular Weight473.96 g/mol
Exact Mass473.10
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one
SMILESCS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Nc3ccc(Cl)cn3)C2=O)c1F
InChIInChI=1S/C23H21ClFN3O3S/c1-32(30,31)22-17(15-6-3-2-4-7-15)10-11-19(21(22)25)28-13-5-8-18(23(28)29)27-20-12-9-16(24)14-26-20/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,26,27)
InChIKeySPGPTBDTLFOQSY-UHFFFAOYSA-N
XLogP4.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one 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 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one (CID 70001693) is 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one is CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Nc3ccc(Cl)cn3)C2=O)c1F.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one?
The InChIKey is SPGPTBDTLFOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3S/c1-32(30,31)22-17(15-6-3-2-4-7-15)10-11-19(21(22)25)28-13-5-8-18(23(28)29)27-20-12-9-16(24)14-26-20/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,26,27).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one?
3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one has a molecular weight of 473.96 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]-1-(2-fluoro-3-methylsulfonyl-4-phenylphenyl)piperidin-2-one is sourced from PubChem (CID 70001693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).