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

C21H24FN7O2S2 — CID 139461613

IUPAC4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C21H24FN7O2S2/c1-14-16-11-23-21(18-12-32-13-24-18)25-17(16)3-4-29(14)20-10-15(22)9-19(26-20)27-5-7-28(8-6-27)33(2,30)31/h9-14H,3-8H2,1-2H3
InChIKeyQXIIZJIWKTZMSJ-UHFFFAOYSA-N
MW489.60 g/mol
LogP2.34
Rot. Bonds4

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

4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461613) has the molecular formula C21H24FN7O2S2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461613
Molecular FormulaC21H24FN7O2S2
Molecular Weight489.60 g/mol
Exact Mass489.14
IUPAC Name4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C21H24FN7O2S2/c1-14-16-11-23-21(18-12-32-13-24-18)25-17(16)3-4-29(14)20-10-15(22)9-19(26-20)27-5-7-28(8-6-27)33(2,30)31/h9-14H,3-8H2,1-2H3
InChIKeyQXIIZJIWKTZMSJ-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

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

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Related Compounds

Ulecaciclib
CID 126535127
N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15978893
5-(6-methyl-3-pyridinyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 57867488
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126535154
4-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-(phenylsulfonyl)-2-(4-pyridinyl)pyrimidine
CID 1477687
N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
CID 127041886
N-[4-(4-fluorophenyl)-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 155527979
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355933
US9670204, 54 N-(2-ethyl-6-(4-(methylsulfonyl)piperazin-1-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90420666
4-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-(phenylsulfonyl)-2-(3-pyridinyl)pyrimidine
CID 1477688
1-[5,6-Dimethyl-2-(pyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]-4-(2-phenylethenesulfonyl)piperazine
CID 6213307
2-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-1,3-thiazole
CID 44246433

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461613) is 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-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-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is QXIIZJIWKTZMSJ-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)20-10-15(22)9-19(26-20)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-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-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-[4-fluoro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).