N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C25H28ClN3O6S — CID 149470313

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC1(CS(=O)(=O)C2(CN3CCn4c(ccc(C(=O)NCc5ccc(Cl)cc5)c4=O)C3=O)CC2)COC1
InChIInChI=1S/C25H28ClN3O6S/c1-24(14-35-15-24)16-36(33,34)25(8-9-25)13-28-10-11-29-20(23(28)32)7-6-19(22(29)31)21(30)27-12-17-2-4-18(26)5-3-17/h2-7H,8-16H2,1H3,(H,27,30)
InChIKeyZBFQKLQGQYVCSO-UHFFFAOYSA-N
MW534.03 g/mol
LogP1.87
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 149470313) has the molecular formula C25H28ClN3O6S and a molecular weight of 534.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID149470313
Molecular FormulaC25H28ClN3O6S
Molecular Weight534.03 g/mol
Exact Mass533.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC1(CS(=O)(=O)C2(CN3CCn4c(ccc(C(=O)NCc5ccc(Cl)cc5)c4=O)C3=O)CC2)COC1
InChIInChI=1S/C25H28ClN3O6S/c1-24(14-35-15-24)16-36(33,34)25(8-9-25)13-28-10-11-29-20(23(28)32)7-6-19(22(29)31)21(30)27-12-17-2-4-18(26)5-3-17/h2-7H,8-16H2,1H3,(H,27,30)
InChIKeyZBFQKLQGQYVCSO-UHFFFAOYSA-N
XLogP1.87
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.03
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 149470313) is N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CC1(CS(=O)(=O)C2(CN3CCn4c(ccc(C(=O)NCc5ccc(Cl)cc5)c4=O)C3=O)CC2)COC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is ZBFQKLQGQYVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O6S/c1-24(14-35-15-24)16-36(33,34)25(8-9-25)13-28-10-11-29-20(23(28)32)7-6-19(22(29)31)21(30)27-12-17-2-4-18(26)5-3-17/h2-7H,8-16H2,1H3,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 534.03 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-[(3-methyloxetan-3-yl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 149470313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).