7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

C26H29FN8O4S2 — CID 143919712

IUPAC7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCN(C)S5=O)s4)nc23)CC1
InChIInChI=1S/C26H29FN8O4S2/c1-30-5-8-32(9-6-30)21(36)16-33-10-11-34-25(38)23(37)22(29-26(33)34)24-28-15-19(40-24)13-17-3-4-18(27)14-20(17)35-12-7-31(2)41(35)39/h3-4,10-11,14-15,37H,5-9,12-13,16H2,1-2H3
InChIKeyKUKKPADZANCSOD-UHFFFAOYSA-N
MW600.70 g/mol
LogP1.16
Rot. Bonds6

About 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 143919712) has the molecular formula C26H29FN8O4S2 and a molecular weight of 600.70 g/mol. Its IUPAC name is 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID143919712
Molecular FormulaC26H29FN8O4S2
Molecular Weight600.70 g/mol
Exact Mass600.17
IUPAC Name7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCN(C)S5=O)s4)nc23)CC1
InChIInChI=1S/C26H29FN8O4S2/c1-30-5-8-32(9-6-30)21(36)16-33-10-11-34-25(38)23(37)22(29-26(33)34)24-28-15-19(40-24)13-17-3-4-18(27)14-20(17)35-12-7-31(2)41(35)39/h3-4,10-11,14-15,37H,5-9,12-13,16H2,1-2H3
InChIKeyKUKKPADZANCSOD-UHFFFAOYSA-N
XLogP1.16
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.70
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (CID 143919712) is 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is CN1CCN(C(=O)Cn2ccn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5N5CCN(C)S5=O)s4)nc23)CC1.
What is the InChIKey of 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is KUKKPADZANCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O4S2/c1-30-5-8-32(9-6-30)21(36)16-33-10-11-34-25(38)23(37)22(29-26(33)34)24-28-15-19(40-24)13-17-3-4-18(27)14-20(17)35-12-7-31(2)41(35)39/h3-4,10-11,14-15,37H,5-9,12-13,16H2,1-2H3.
What are the key properties of 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 600.70 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[4-fluoro-2-(5-methyl-1-oxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 143919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).