(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

C24H26FN3O4S — CID 69087052

IUPAC(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
SMILESCO[C@H](C)[C@H]1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4)s3)cn21
InChIInChI=1S/C24H26FN3O4S/c1-13(2)27-12-19(14(3)32-4)28-11-18(21(29)22(30)20(28)24(27)31)23-26-10-17(33-23)9-15-5-7-16(25)8-6-15/h5-8,10-11,13-14,19,30H,9,12H2,1-4H3/t14-,19-/m1/s1
InChIKeySMOQSKDVTWJNNB-AUUYWEPGSA-N
MW471.55 g/mol
LogP3.85
Rot. Bonds6

About (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

(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 (PubChem CID 69087052) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID69087052
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name(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
SMILESCO[C@H](C)[C@H]1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4)s3)cn21
InChIInChI=1S/C24H26FN3O4S/c1-13(2)27-12-19(14(3)32-4)28-11-18(21(29)22(30)20(28)24(27)31)23-26-10-17(33-23)9-15-5-7-16(25)8-6-15/h5-8,10-11,13-14,19,30H,9,12H2,1-4H3/t14-,19-/m1/s1
InChIKeySMOQSKDVTWJNNB-AUUYWEPGSA-N
XLogP3.85
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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
(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
7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-(hydroxymethyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086715
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
(4R)-4-[(1R)-1-ethoxypropyl]-7-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69087056
7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-(2-oxopropyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086837
(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
(4S)-4-tert-butyl-7-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086877
2-[7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 69086765
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@H](C)[C@H]1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4)s3)cn21.
What is the InChIKey of (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?
The InChIKey is SMOQSKDVTWJNNB-AUUYWEPGSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-13(2)27-12-19(14(3)32-4)28-11-18(21(29)22(30)20(28)24(27)31)23-26-10-17(33-23)9-15-5-7-16(25)8-6-15/h5-8,10-11,13-14,19,30H,9,12H2,1-4H3/t14-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 471.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 69087052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).