(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol

C15H17ClFN3OS — CID 170554064

IUPAC(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol
SMILESCSc1nc(C2CCC[C@@H](O)C2)c2c(C)nc(Cl)c(F)c2n1
InChIInChI=1S/C15H17ClFN3OS/c1-7-10-12(8-4-3-5-9(21)6-8)19-15(22-2)20-13(10)11(17)14(16)18-7/h8-9,21H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyKYXWHLDSAWAQBL-YGPZHTELSA-N
MW341.84 g/mol
LogP3.87
Rot. Bonds2

About (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol

(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol (PubChem CID 170554064) has the molecular formula C15H17ClFN3OS and a molecular weight of 341.84 g/mol. Its IUPAC name is (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol
PubChem CID170554064
Molecular FormulaC15H17ClFN3OS
Molecular Weight341.84 g/mol
Exact Mass341.08
IUPAC Name(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol
SMILESCSc1nc(C2CCC[C@@H](O)C2)c2c(C)nc(Cl)c(F)c2n1
InChIInChI=1S/C15H17ClFN3OS/c1-7-10-12(8-4-3-5-9(21)6-8)19-15(22-2)20-13(10)11(17)14(16)18-7/h8-9,21H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyKYXWHLDSAWAQBL-YGPZHTELSA-N
XLogP3.87
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol 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 (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol?
The IUPAC name of (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol (CID 170554064) is (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol?
The canonical SMILES for (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol is CSc1nc(C2CCC[C@@H](O)C2)c2c(C)nc(Cl)c(F)c2n1.
What is the InChIKey of (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol?
The InChIKey is KYXWHLDSAWAQBL-YGPZHTELSA-N. The full InChI is InChI=1S/C15H17ClFN3OS/c1-7-10-12(8-4-3-5-9(21)6-8)19-15(22-2)20-13(10)11(17)14(16)18-7/h8-9,21H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol?
(1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol has a molecular weight of 341.84 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 170554064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).