[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate

C28H26FN5O5 — CID 76655934

IUPAC[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
SMILESNC(Cc1ccc(F)cc1)=NOC(=O)c1nc2ccc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C28H26FN5O5/c29-21-8-6-19(7-9-21)16-23(30)32-39-28(36)25-26(38-18-20-4-2-1-3-5-20)27(35)34-17-22(10-11-24(34)31-25)33-12-14-37-15-13-33/h1-11,17H,12-16,18H2,(H2,30,32)
InChIKeyANLYAVIVNRMNHS-UHFFFAOYSA-N
MW531.54 g/mol
LogP2.92
Rot. Bonds8

About [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate

[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 76655934) has the molecular formula C28H26FN5O5 and a molecular weight of 531.54 g/mol. Its IUPAC name is [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID76655934
Molecular FormulaC28H26FN5O5
Molecular Weight531.54 g/mol
Exact Mass531.19
IUPAC Name[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
SMILESNC(Cc1ccc(F)cc1)=NOC(=O)c1nc2ccc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C28H26FN5O5/c29-21-8-6-19(7-9-21)16-23(30)32-39-28(36)25-26(38-18-20-4-2-1-3-5-20)27(35)34-17-22(10-11-24(34)31-25)33-12-14-37-15-13-33/h1-11,17H,12-16,18H2,(H2,30,32)
InChIKeyANLYAVIVNRMNHS-UHFFFAOYSA-N
XLogP2.92
TPSA120.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54733276
9-(benzyloxymethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686288
Tert-butyl 5-(benzyloxy)-2-((1-(tert-butoxycarbonyl)piperidin-4-yl)methyl)-6-hydroxypyrimidine-4-carboxylate
CID 136134834
N-(4-Fluorobenzyl)-3-(benzyloxy)-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070030
N-(4-Fluorobenzyl)-3-(benzyloxy)-N-methoxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070031
2-(4-fluorophenyl)-N-[2-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)-2-oxoethyl]acetamide
CID 58101011
[(Z)-[amino-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 58101097
5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
[(E)-[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101133
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101167
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58147980
2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
CID 58147996

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate (CID 76655934) is [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate is NC(Cc1ccc(F)cc1)=NOC(=O)c1nc2ccc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is ANLYAVIVNRMNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O5/c29-21-8-6-19(7-9-21)16-23(30)32-39-28(36)25-26(38-18-20-4-2-1-3-5-20)27(35)34-17-22(10-11-24(34)31-25)33-12-14-37-15-13-33/h1-11,17H,12-16,18H2,(H2,30,32).
What are the key properties of [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
[[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 531.54 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 76655934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).