7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H19FN4O2S — CID 118010918

IUPAC7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C)n(Cc2nc3sc(C)c(C4CC4CO)n3c(=O)c2F)n1
InChIInChI=1S/C17H19FN4O2S/c1-8-4-9(2)21(20-8)6-13-14(18)16(24)22-15(12-5-11(12)7-23)10(3)25-17(22)19-13/h4,11-12,23H,5-7H2,1-3H3
InChIKeyFFNPDRNHNVVNER-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.16
Rot. Bonds4

About 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118010918) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118010918
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(C)n(Cc2nc3sc(C)c(C4CC4CO)n3c(=O)c2F)n1
InChIInChI=1S/C17H19FN4O2S/c1-8-4-9(2)21(20-8)6-13-14(18)16(24)22-15(12-5-11(12)7-23)10(3)25-17(22)19-13/h4,11-12,23H,5-7H2,1-3H3
InChIKeyFFNPDRNHNVVNER-UHFFFAOYSA-N
XLogP2.16
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118010918) is 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(C)n(Cc2nc3sc(C)c(C4CC4CO)n3c(=O)c2F)n1.
What is the InChIKey of 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FFNPDRNHNVVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-8-4-9(2)21(20-8)6-13-14(18)16(24)22-15(12-5-11(12)7-23)10(3)25-17(22)19-13/h4,11-12,23H,5-7H2,1-3H3.
What are the key properties of 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 362.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethylpyrazol-1-yl)methyl]-6-fluoro-3-[2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118010918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).