(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

C27H29FN4O4S — CID 69086953

About (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

(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 (PubChem CID 69086953) has the molecular formula C27H29FN4O4S and a molecular weight of 524.62 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 69086953
• Molecular Formula: C27H29FN4O4S
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.19
• IUPAC Name: (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
• SMILES: C[C@@H](C1CC1)N1C[C@](C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
• InChI: InChI=1S/C27H29FN4O4S/c1-15(17-7-8-17)31-14-27(2,26(36)30(3)4)32-13-20(22(33)23(34)21(32)25(31)35)24-29-12-19(37-24)11-16-5-9-18(28)10-6-16/h5-6,9-10,12-13,15,17,34H,7-8,11,14H2,1-4H3/t15-,27+/m0/s1
• InChIKey: MUXKTLRIDKLMPQ-KUNJGFBQSA-N
• XLogP: 3.46
• TPSA: 95.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C[C@@H](C1CC1)N1C[C@](C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O.

What is the InChIKey of (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?

The InChIKey is MUXKTLRIDKLMPQ-KUNJGFBQSA-N. The full InChI is InChI=1S/C27H29FN4O4S/c1-15(17-7-8-17)31-14-27(2,26(36)30(3)4)32-13-20(22(33)23(34)21(32)25(31)35)24-29-12-19(37-24)11-16-5-9-18(28)10-6-16/h5-6,9-10,12-13,15,17,34H,7-8,11,14H2,1-4H3/t15-,27+/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 524.62 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 69086953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).