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

C24H23F2N3O4S — CID 69086837

IUPAC7-[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
SMILESCC(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21
InChIInChI=1S/C24H23F2N3O4S/c1-12(2)28-10-16(6-13(3)30)29-11-18(21(31)22(32)20(29)24(28)33)23-27-9-17(34-23)7-14-4-5-15(25)8-19(14)26/h4-5,8-9,11-12,16,32H,6-7,10H2,1-3H3
InChIKeySMSVIDYVRFKOIT-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.93
Rot. Bonds6

About 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

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 (PubChem CID 69086837) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID69086837
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name7-[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
SMILESCC(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21
InChIInChI=1S/C24H23F2N3O4S/c1-12(2)28-10-16(6-13(3)30)29-11-18(21(31)22(32)20(29)24(28)33)23-27-9-17(34-23)7-14-4-5-15(25)8-19(14)26/h4-5,8-9,11-12,16,32H,6-7,10H2,1-3H3
InChIKeySMSVIDYVRFKOIT-UHFFFAOYSA-N
XLogP3.93
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(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
(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
(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-[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
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CC1CN(C(C)C)C(=O)c2c(O)c(=O)c(-c3ncc(Cc4ccc(F)cc4F)s3)cn21.
What is the InChIKey of 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?
The InChIKey is SMSVIDYVRFKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c1-12(2)28-10-16(6-13(3)30)29-11-18(21(31)22(32)20(29)24(28)33)23-27-9-17(34-23)7-14-4-5-15(25)8-19(14)26/h4-5,8-9,11-12,16,32H,6-7,10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 487.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69086837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).