6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C25H26FN5O2S — CID 42806376

IUPAC6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(CC(=O)N3CCC(C)CC3)n2c(=O)c1-c1cc(C)n(-c2ccccc2F)n1
InChIInChI=1S/C25H26FN5O2S/c1-15-8-10-29(11-9-15)22(32)13-18-14-34-25-27-17(3)23(24(33)30(18)25)20-12-16(2)31(28-20)21-7-5-4-6-19(21)26/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyCTFUTSHSZHIPEM-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.17
Rot. Bonds4

About 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42806376) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42806376
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(CC(=O)N3CCC(C)CC3)n2c(=O)c1-c1cc(C)n(-c2ccccc2F)n1
InChIInChI=1S/C25H26FN5O2S/c1-15-8-10-29(11-9-15)22(32)13-18-14-34-25-27-17(3)23(24(33)30(18)25)20-12-16(2)31(28-20)21-7-5-4-6-19(21)26/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyCTFUTSHSZHIPEM-UHFFFAOYSA-N
XLogP4.17
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42806376) is 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2scc(CC(=O)N3CCC(C)CC3)n2c(=O)c1-c1cc(C)n(-c2ccccc2F)n1.
What is the InChIKey of 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CTFUTSHSZHIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-15-8-10-29(11-9-15)22(32)13-18-14-34-25-27-17(3)23(24(33)30(18)25)20-12-16(2)31(28-20)21-7-5-4-6-19(21)26/h4-7,12,14-15H,8-11,13H2,1-3H3.
What are the key properties of 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 479.58 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42806376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).