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

C15H18ClFN4OS — CID 170554074

IUPAC[1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCSc1nc(N2CCCC(CO)C2)c2c(C)nc(Cl)c(F)c2n1
InChIInChI=1S/C15H18ClFN4OS/c1-8-10-12(11(17)13(16)18-8)19-15(23-2)20-14(10)21-5-3-4-9(6-21)7-22/h9,22H,3-7H2,1-2H3
InChIKeyRLPUQCQIVNCPJX-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.06
Rot. Bonds3

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

[1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 170554074) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID170554074
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC Name[1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCSc1nc(N2CCCC(CO)C2)c2c(C)nc(Cl)c(F)c2n1
InChIInChI=1S/C15H18ClFN4OS/c1-8-10-12(11(17)13(16)18-8)19-15(23-2)20-14(10)21-5-3-4-9(6-21)7-22/h9,22H,3-7H2,1-2H3
InChIKeyRLPUQCQIVNCPJX-UHFFFAOYSA-N
XLogP3.06
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol 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 [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol (CID 170554074) is [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is CSc1nc(N2CCCC(CO)C2)c2c(C)nc(Cl)c(F)c2n1.
What is the InChIKey of [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is RLPUQCQIVNCPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4OS/c1-8-10-12(11(17)13(16)18-8)19-15(23-2)20-14(10)21-5-3-4-9(6-21)7-22/h9,22H,3-7H2,1-2H3.
What are the key properties of [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 356.85 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-8-fluoro-5-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 170554074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).