(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide

C24H25FN4O4S — CID 69086929

IUPAC(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
SMILESCCN1C[C@@](C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H25FN4O4S/c1-5-28-13-24(2,23(33)27(3)4)29-12-17(19(30)20(31)18(29)22(28)32)21-26-11-16(34-21)10-14-6-8-15(25)9-7-14/h6-9,11-12,31H,5,10,13H2,1-4H3/t24-/m0/s1
InChIKeyZWTWCHUNSNQFIW-DEOSSOPVSA-N
MW484.55 g/mol
LogP2.69
Rot. Bonds5

About (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide

(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide (PubChem CID 69086929) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
PubChem CID69086929
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
SMILESCCN1C[C@@](C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H25FN4O4S/c1-5-28-13-24(2,23(33)27(3)4)29-12-17(19(30)20(31)18(29)22(28)32)21-26-11-16(34-21)10-14-6-8-15(25)9-7-14/h6-9,11-12,31H,5,10,13H2,1-4H3/t24-/m0/s1
InChIKeyZWTWCHUNSNQFIW-DEOSSOPVSA-N
XLogP2.69
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide 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

(4R)-2-[(1S)-1-cyclopropylethyl]-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086953
(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,4-dimethyl-1,8-dioxo-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086910
(4S)-2-cyclopropyl-N-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-methyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69087602
(4R)-2-(cyclopropylmethyl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-(3-methoxyazetidine-1-carbonyl)-4-methyl-3H-pyrido[1,2-a]pyrazine-1,8-dione
CID 69086942
(3S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-3-methyl-3-propanoyl-4H-pyrido[1,2-a]pyrazine-1,8-dione
CID 147023345
(4R)-2-[(1R)-1-cyclopropylethyl]-N-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-methyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086961
N-[1-[(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]propan-2-yl]-N-methylacetamide
CID 69087124
(4S)-4-(3-cyclopropylpropanoyl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-methyl-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-1,8-dione
CID 152863221
N-[1-[(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]propan-2-yl]-N-methylacetamide
CID 69087123
N-[2-[(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]ethyl]-N-methylacetamide
CID 69087099
(4R)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-[(1R)-1-methoxyethyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69087052
(4R)-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-4-carboxamide
CID 69086853

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide?
The IUPAC name of (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide (CID 69086929) is (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide.
What is the SMILES notation for (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide?
The canonical SMILES for (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide is CCN1C[C@@](C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O.
What is the InChIKey of (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide?
The InChIKey is ZWTWCHUNSNQFIW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-5-28-13-24(2,23(33)27(3)4)29-12-17(19(30)20(31)18(29)22(28)32)21-26-11-16(34-21)10-14-6-8-15(25)9-7-14/h6-9,11-12,31H,5,10,13H2,1-4H3/t24-/m0/s1.
What are the key properties of (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide?
(4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-N,N,4-trimethyl-1,8-dioxo-3H-pyrido[1,2-a]pyrazine-4-carboxamide is sourced from PubChem (CID 69086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).