7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide

C23H23F2N5O4S — CID 69086746

About 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide

7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide (PubChem CID 69086746) has the molecular formula C23H23F2N5O4S and a molecular weight of 503.53 g/mol. Its IUPAC name is 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 69086746
• Molecular Formula: C23H23F2N5O4S
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.14
• IUPAC Name: 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide
• SMILES: CC(C)N1C(=O)c2c(O)c(=O)c(-c3nnc(Cc4ccc(F)cc4F)s3)cn2CC1C(=O)N(C)C
• InChI: InChI=1S/C23H23F2N5O4S/c1-11(2)30-16(22(33)28(3)4)10-29-9-14(19(31)20(32)18(29)23(30)34)21-27-26-17(35-21)7-12-5-6-13(24)8-15(12)25/h5-6,8-9,11,16,32H,7,10H2,1-4H3
• InChIKey: DIAMKVYJADHWFM-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 108.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide (CID 69086746) is 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide is CC(C)N1C(=O)c2c(O)c(=O)c(-c3nnc(Cc4ccc(F)cc4F)s3)cn2CC1C(=O)N(C)C.

What is the InChIKey of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide?

The InChIKey is DIAMKVYJADHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O4S/c1-11(2)30-16(22(33)28(3)4)10-29-9-14(19(31)20(32)18(29)23(30)34)21-27-26-17(35-21)7-12-5-6-13(24)8-15(12)25/h5-6,8-9,11,16,32H,7,10H2,1-4H3.

What are the key properties of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide?

7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 69086746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).