5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide

C24H22FN5O4S — CID 135911588

IUPAC5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1
InChIInChI=1S/C24H22FN5O4S/c1-26-22(32)18-11-15(25)3-2-14(18)10-17-12-27-23(35-17)20-21(31)24(33)30-13-16(4-5-19(30)28-20)29-6-8-34-9-7-29/h2-5,11-13,31H,6-10H2,1H3,(H,26,32)
InChIKeyCDXKOCQKQMKOGG-UHFFFAOYSA-N
MW495.54 g/mol
LogP2.45
Rot. Bonds5

About 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide

5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide (PubChem CID 135911588) has the molecular formula C24H22FN5O4S and a molecular weight of 495.54 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
PubChem CID135911588
Molecular FormulaC24H22FN5O4S
Molecular Weight495.54 g/mol
Exact Mass495.14
IUPAC Name5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1
InChIInChI=1S/C24H22FN5O4S/c1-26-22(32)18-11-15(25)3-2-14(18)10-17-12-27-23(35-17)20-21(31)24(33)30-13-16(4-5-19(30)28-20)29-6-8-34-9-7-29/h2-5,11-13,31H,6-10H2,1H3,(H,26,32)
InChIKeyCDXKOCQKQMKOGG-UHFFFAOYSA-N
XLogP2.45
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide with MolForge

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Related Compounds

2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide
CID 135911605
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-methylbenzamide
CID 135911639
7-[5-[[4-fluoro-2-(1,2-thiazolidin-2-ylmethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-hydroxy-2-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 143919680
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
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
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
N-[(3-chloro-2-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide;(4-fluorophenyl)methanamine
CID 172751798
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136597975
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 135908116
3-[2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 91025152

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?
The IUPAC name of 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide (CID 135911588) is 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide is CNC(=O)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.
What is the InChIKey of 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?
The InChIKey is CDXKOCQKQMKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4S/c1-26-22(32)18-11-15(25)3-2-14(18)10-17-12-27-23(35-17)20-21(31)24(33)30-13-16(4-5-19(30)28-20)29-6-8-34-9-7-29/h2-5,11-13,31H,6-10H2,1H3,(H,26,32).
What are the key properties of 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide?
5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide has a molecular weight of 495.54 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 135911588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).