7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C28H32FN7O3S2 — CID 135859911

IUPAC7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(Cc2cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)c(C(=O)N6CCN(C)CC6)c5)s4)nc3s2)CC1
InChIInChI=1S/C28H32FN7O3S2/c1-32-5-9-34(10-6-32)16-20-17-36-27(39)24(37)23(31-28(36)41-20)25-30-15-19(40-25)13-18-3-4-22(29)21(14-18)26(38)35-11-7-33(2)8-12-35/h3-4,14-15,17,37H,5-13,16H2,1-2H3
InChIKeyFIPAOIOCAPYWOL-UHFFFAOYSA-N
MW597.74 g/mol
LogP2.45
Rot. Bonds6

About 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135859911) has the molecular formula C28H32FN7O3S2 and a molecular weight of 597.74 g/mol. Its IUPAC name is 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135859911
Molecular FormulaC28H32FN7O3S2
Molecular Weight597.74 g/mol
Exact Mass597.20
IUPAC Name7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(Cc2cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)c(C(=O)N6CCN(C)CC6)c5)s4)nc3s2)CC1
InChIInChI=1S/C28H32FN7O3S2/c1-32-5-9-34(10-6-32)16-20-17-36-27(39)24(37)23(31-28(36)41-20)25-30-15-19(40-25)13-18-3-4-22(29)21(14-18)26(38)35-11-7-33(2)8-12-35/h3-4,14-15,17,37H,5-13,16H2,1-2H3
InChIKeyFIPAOIOCAPYWOL-UHFFFAOYSA-N
XLogP2.45
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[[2-[6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide
CID 135859910
4-[[4-fluoro-3-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 176580620
5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide;5-fluoro-2-[[2-[6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N-methylbenzamide;7-[5-[[4-fluoro-2-(5-methyl-1,1-dioxo-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-(4-methylpiperazine-1-carbonyl)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 160975443
2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 136653224
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluorophenyl)methanone
CID 55415388
2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
CID 135979002
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
5-fluoro-2-[[2-[6-hydroxy-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide
CID 135911640
tert-butyl formate;4-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 155723297
2-fluoro-5-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 114012213
4-[2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylic acid
CID 90851854
1-[4-fluoro-3-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 136527734

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135859911) is 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN1CCN(Cc2cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)c(C(=O)N6CCN(C)CC6)c5)s4)nc3s2)CC1.
What is the InChIKey of 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FIPAOIOCAPYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O3S2/c1-32-5-9-34(10-6-32)16-20-17-36-27(39)24(37)23(31-28(36)41-20)25-30-15-19(40-25)13-18-3-4-22(29)21(14-18)26(38)35-11-7-33(2)8-12-35/h3-4,14-15,17,37H,5-13,16H2,1-2H3.
What are the key properties of 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 597.74 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135859911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).