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

C27H30F2N4O5S — CID 69086765

IUPAC2-[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
SMILESCOCCN(C)C(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21
InChIInChI=1S/C27H30F2N4O5S/c1-15(2)32-13-18(11-22(34)31(3)7-8-38-4)33-14-20(24(35)25(36)23(33)27(32)37)26-30-12-19(39-26)9-16-5-6-17(28)10-21(16)29/h5-6,10,12,14-15,18,36H,7-9,11,13H2,1-4H3
InChIKeyNDLLCHWKNSVBKQ-UHFFFAOYSA-N
MW560.62 g/mol
LogP3.45
Rot. Bonds9

About 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

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 (PubChem CID 69086765) has the molecular formula C27H30F2N4O5S and a molecular weight of 560.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID69086765
Molecular FormulaC27H30F2N4O5S
Molecular Weight560.62 g/mol
Exact Mass560.19
IUPAC Name2-[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
SMILESCOCCN(C)C(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21
InChIInChI=1S/C27H30F2N4O5S/c1-15(2)32-13-18(11-22(34)31(3)7-8-38-4)33-14-20(24(35)25(36)23(33)27(32)37)26-30-12-19(39-26)9-16-5-6-17(28)10-21(16)29/h5-6,10,12,14-15,18,36H,7-9,11,13H2,1-4H3
InChIKeyNDLLCHWKNSVBKQ-UHFFFAOYSA-N
XLogP3.45
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[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-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086774
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
(4R)-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(ethoxymethyl)-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086829
(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)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086833
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
(3S,6R)-12-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-10-hydroxy-6-methyl-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione;hydrochloride
CID 162308939
N-ethyl-N-[2-[(4S)-7-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]ethyl]-2-methylpropanamide
CID 69087090
(4R)-2-cyclobutyl-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(2-methoxyethoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086776

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN(C)C(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21.
What is the InChIKey of 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?
The InChIKey is NDLLCHWKNSVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O5S/c1-15(2)32-13-18(11-22(34)31(3)7-8-38-4)33-14-20(24(35)25(36)23(33)27(32)37)26-30-12-19(39-26)9-16-5-6-17(28)10-21(16)29/h5-6,10,12,14-15,18,36H,7-9,11,13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 560.62 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69086765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).