4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

C21H24FN7O2S2 — CID 139461616

IUPAC4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C21H24FN7O2S2/c1-14-16-11-23-21(18-12-32-13-24-18)25-17(16)3-4-29(14)15-9-19(22)26-20(10-15)27-5-7-28(8-6-27)33(2,30)31/h9-14H,3-8H2,1-2H3
InChIKeyIARHUAPIDXQEFX-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.34
Rot. Bonds4

About 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461616) has the molecular formula C21H24FN7O2S2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461616
Molecular FormulaC21H24FN7O2S2
Molecular Weight489.60 g/mol
Exact Mass489.14
IUPAC Name4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C21H24FN7O2S2/c1-14-16-11-23-21(18-12-32-13-24-18)25-17(16)3-4-29(14)15-9-19(22)26-20(10-15)27-5-7-28(8-6-27)33(2,30)31/h9-14H,3-8H2,1-2H3
InChIKeyIARHUAPIDXQEFX-UHFFFAOYSA-N
XLogP2.34
TPSA95.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole 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 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461616) is 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is IARHUAPIDXQEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O2S2/c1-14-16-11-23-21(18-12-32-13-24-18)25-17(16)3-4-29(14)15-9-19(22)26-20(10-15)27-5-7-28(8-6-27)33(2,30)31/h9-14H,3-8H2,1-2H3.
What are the key properties of 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 489.60 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).