(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

C24H25F2N5O4S — CID 69086853

IUPAC(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
SMILESCC(C)N1C[C@](C)(C(=O)N(C)C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H25F2N5O4S/c1-12(2)30-11-24(3,23(35)29(4)5)31-10-15(19(32)20(33)18(31)22(30)34)21-28-27-17(36-21)8-13-6-7-14(25)9-16(13)26/h6-7,9-10,12,33H,8,11H2,1-5H3/t24-/m1/s1
InChIKeyJWJBWKONETVXRU-XMMPIXPASA-N
MW517.56 g/mol
LogP2.61
Rot. Bonds5

About (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

(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 (PubChem CID 69086853) has the molecular formula C24H25F2N5O4S and a molecular weight of 517.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID69086853
Molecular FormulaC24H25F2N5O4S
Molecular Weight517.56 g/mol
Exact Mass517.16
IUPAC Name(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
SMILESCC(C)N1C[C@](C)(C(=O)N(C)C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H25F2N5O4S/c1-12(2)30-11-24(3,23(35)29(4)5)31-10-15(19(32)20(33)18(31)22(30)34)21-28-27-17(36-21)8-13-6-7-14(25)9-16(13)26/h6-7,9-10,12,33H,8,11H2,1-5H3/t24-/m1/s1
InChIKeyJWJBWKONETVXRU-XMMPIXPASA-N
XLogP2.61
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1C[C@](C)(C(=O)N(C)C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O.
What is the InChIKey of (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?
The InChIKey is JWJBWKONETVXRU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25F2N5O4S/c1-12(2)30-11-24(3,23(35)29(4)5)31-10-15(19(32)20(33)18(31)22(30)34)21-28-27-17(36-21)8-13-6-7-14(25)9-16(13)26/h6-7,9-10,12,33H,8,11H2,1-5H3/t24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 517.56 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 69086853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).