N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C27H32ClF2N3O4 — CID 138527567

About N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 138527567) has the molecular formula C27H32ClF2N3O4 and a molecular weight of 536.02 g/mol. Its IUPAC name is N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
• PubChem CID: 138527567
• Molecular Formula: C27H32ClF2N3O4
• Molecular Weight: 536.02 g/mol
• Exact Mass: 535.20
• IUPAC Name: N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
• SMILES: CCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2C(CCC2(C)CC2)C1CC
• InChI: InChI=1S/C27H32ClF2N3O4/c1-4-12-32-18(5-2)19(8-9-27(3)10-11-27)33-14-16(23(34)24(35)22(33)26(32)37)25(36)31-13-15-6-7-17(29)20(28)21(15)30/h6-7,14,18-19,35H,4-5,8-13H2,1-3H3,(H,31,36)
• InChIKey: POPBQAXVPSOQEN-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.02
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 138527567) is N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The canonical SMILES for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2C(CCC2(C)CC2)C1CC.

What is the InChIKey of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

The InChIKey is POPBQAXVPSOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClF2N3O4/c1-4-12-32-18(5-2)19(8-9-27(3)10-11-27)33-14-16(23(34)24(35)22(33)26(32)37)25(36)31-13-15-6-7-17(29)20(28)21(15)30/h6-7,14,18-19,35H,4-5,8-13H2,1-3H3,(H,31,36).

What are the key properties of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?

N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 536.02 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138527567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).