N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide

C30H31FN4O4 — CID 67309481

IUPACN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2ccn(CCN3CCCCC3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C30H31FN4O4/c31-24-11-9-22(10-12-24)19-32-29(37)25-20-35-18-17-34(16-15-33-13-5-2-6-14-33)30(38)26(35)28(27(25)36)39-21-23-7-3-1-4-8-23/h1,3-4,7-12,17-18,20H,2,5-6,13-16,19,21H2,(H,32,37)
InChIKeyVUEMMXIGGVSJFM-UHFFFAOYSA-N
MW530.60 g/mol
LogP3.60
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67309481) has the molecular formula C30H31FN4O4 and a molecular weight of 530.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67309481
Molecular FormulaC30H31FN4O4
Molecular Weight530.60 g/mol
Exact Mass530.23
IUPAC NameN-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2ccn(CCN3CCCCC3)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C30H31FN4O4/c31-24-11-9-22(10-12-24)19-32-29(37)25-20-35-18-17-34(16-15-33-13-5-2-6-14-33)30(38)26(35)28(27(25)36)39-21-23-7-3-1-4-8-23/h1,3-4,7-12,17-18,20H,2,5-6,13-16,19,21H2,(H,32,37)
InChIKeyVUEMMXIGGVSJFM-UHFFFAOYSA-N
XLogP3.60
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[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-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide (CID 67309481) is N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2ccn(CCN3CCCCC3)c(=O)c2c(OCc2ccccc2)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is VUEMMXIGGVSJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O4/c31-24-11-9-22(10-12-24)19-32-29(37)25-20-35-18-17-34(16-15-33-13-5-2-6-14-33)30(38)26(35)28(27(25)36)39-21-23-7-3-1-4-8-23/h1,3-4,7-12,17-18,20H,2,5-6,13-16,19,21H2,(H,32,37).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 530.60 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).