ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

C23H24F2N4O4 — CID 164600886

IUPACethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C23H24F2N4O4/c1-3-33-23(31)15-8-19(14(2)26-18-10-16(24)9-17(25)11-18)22-27-20(12-21(30)29(22)13-15)28-4-6-32-7-5-28/h8-14,26H,3-7H2,1-2H3
InChIKeyFIKFRHJDEHVRSH-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.16
Rot. Bonds6

About ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (PubChem CID 164600886) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
PubChem CID164600886
Molecular FormulaC23H24F2N4O4
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Nameethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C23H24F2N4O4/c1-3-33-23(31)15-8-19(14(2)26-18-10-16(24)9-17(25)11-18)22-27-20(12-21(30)29(22)13-15)28-4-6-32-7-5-28/h8-14,26H,3-7H2,1-2H3
InChIKeyFIKFRHJDEHVRSH-UHFFFAOYSA-N
XLogP3.16
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (CID 164600886) is ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is CCOC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is FIKFRHJDEHVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-3-33-23(31)15-8-19(14(2)26-18-10-16(24)9-17(25)11-18)22-27-20(12-21(30)29(22)13-15)28-4-6-32-7-5-28/h8-14,26H,3-7H2,1-2H3.
What are the key properties of ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 164600886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).