(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide

C24H25ClFN7O4S — CID 134522963

IUPAC(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(Cl)cn3)n2CCc2ccc(F)cc2)n1
InChIInChI=1S/C24H25ClFN7O4S/c1-15(21(37-3)22-27-13-17(25)14-28-22)38(34,35)32-24-31-30-23(19-5-4-6-20(29-19)36-2)33(24)12-11-16-7-9-18(26)10-8-16/h4-10,13-15,21H,11-12H2,1-3H3,(H,31,32)/t15-,21-/m0/s1
InChIKeyQEKNJLLQMXNOQB-BTYIYWSLSA-N
MW562.03 g/mol
LogP3.69
Rot. Bonds11

About (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide

(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide (PubChem CID 134522963) has the molecular formula C24H25ClFN7O4S and a molecular weight of 562.03 g/mol. Its IUPAC name is (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
PubChem CID134522963
Molecular FormulaC24H25ClFN7O4S
Molecular Weight562.03 g/mol
Exact Mass561.14
IUPAC Name(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
SMILESCOc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(Cl)cn3)n2CCc2ccc(F)cc2)n1
InChIInChI=1S/C24H25ClFN7O4S/c1-15(21(37-3)22-27-13-17(25)14-28-22)38(34,35)32-24-31-30-23(19-5-4-6-20(29-19)36-2)33(24)12-11-16-7-9-18(26)10-8-16/h4-10,13-15,21H,11-12H2,1-3H3,(H,31,32)/t15-,21-/m0/s1
InChIKeyQEKNJLLQMXNOQB-BTYIYWSLSA-N
XLogP3.69
TPSA134.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.03
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

APJ receptor agonist 8
CID 122701908
US10058550, Example 362.0
CID 122701165
Yl)-1-(5-fluoro-2-pyrimidinyl)-1-methoxy-2-propanesulfonamide
CID 122701175
US10058550, Example 177.0
CID 122701259
Fluoro-2-pyrimidinyl)-1-methoxy-2-propanesulfonamide
CID 122701272
US10058550, Example 798.0
CID 122701462
US10058550, Example 348.0
CID 122701502
US10058550, Example 185.0
CID 122701505
US10058550, Example 207.0
CID 122701548
US10058550, Example 452.0
CID 122701592
US10058550, Example 688.0
CID 122701596
US10221162, Example 352.0
CID 122701601

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide (CID 134522963) is (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(Cl)cn3)n2CCc2ccc(F)cc2)n1.
What is the InChIKey of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?
The InChIKey is QEKNJLLQMXNOQB-BTYIYWSLSA-N. The full InChI is InChI=1S/C24H25ClFN7O4S/c1-15(21(37-3)22-27-13-17(25)14-28-22)38(34,35)32-24-31-30-23(19-5-4-6-20(29-19)36-2)33(24)12-11-16-7-9-18(26)10-8-16/h4-10,13-15,21H,11-12H2,1-3H3,(H,31,32)/t15-,21-/m0/s1.
What are the key properties of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide has a molecular weight of 562.03 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[4-[2-(4-fluorophenyl)ethyl]-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 134522963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).