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

C25H27ClN4O5 — CID 148892181

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(C(=O)N3CCOCC3)CC1)C2=O
InChIInChI=1S/C25H27ClN4O5/c26-18-3-1-17(2-4-18)15-27-21(31)19-5-6-20-23(33)29(9-10-30(20)22(19)32)16-25(7-8-25)24(34)28-11-13-35-14-12-28/h1-6H,7-16H2,(H,27,31)
InChIKeyPFDONVUMKYKKDC-UHFFFAOYSA-N
MW498.97 g/mol
LogP1.53
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 148892181) has the molecular formula C25H27ClN4O5 and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID148892181
Molecular FormulaC25H27ClN4O5
Molecular Weight498.97 g/mol
Exact Mass498.17
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(C(=O)N3CCOCC3)CC1)C2=O
InChIInChI=1S/C25H27ClN4O5/c26-18-3-1-17(2-4-18)15-27-21(31)19-5-6-20-23(33)29(9-10-30(20)22(19)32)16-25(7-8-25)24(34)28-11-13-35-14-12-28/h1-6H,7-16H2,(H,27,31)
InChIKeyPFDONVUMKYKKDC-UHFFFAOYSA-N
XLogP1.53
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 148892181) is N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(C(=O)N3CCOCC3)CC1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is PFDONVUMKYKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O5/c26-18-3-1-17(2-4-18)15-27-21(31)19-5-6-20-23(33)29(9-10-30(20)22(19)32)16-25(7-8-25)24(34)28-11-13-35-14-12-28/h1-6H,7-16H2,(H,27,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(morpholine-4-carbonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 148892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).