9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate

C97H118N22O16 — CID 158174982

IUPAC9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate
SMILESCc1cc(C(C)Nc2ccc(O)cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OC(=O)CCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C28H35N7O6.C27H35N7O5.C21H24N4O3.C21H24N4O2/c1-20-17-24(28-32-25(18-26(36)35(28)19-20)34-9-13-40-14-10-34)21(2)31-22-3-5-23(6-4-22)41-27(37)7-11-38-15-16-39-12-8-30-33-29;1-20-17-24(27-31-25(18-26(35)34(27)19-20)33-8-11-37-12-9-33)21(2)30-22-3-5-23(6-4-22)39-16-15-38-14-13-36-10-7-29-32-28;1-14-11-18(15(2)22-16-3-5-17(26)6-4-16)21-23-19(12-20(27)25(21)13-14)24-7-9-28-10-8-24;1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-6,17-19,21,31H,7-16H2,1-2H3;3-6,17-19,21,30H,7-16H2,1-2H3;3-6,11-13,15,22,26H,7-10H2,1-2H3;3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyFXWYQLUEMHGJDD-UHFFFAOYSA-N
MW1848.15 g/mol
LogP13.12
Rot. Bonds36

About 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate

9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate (PubChem CID 158174982) has the molecular formula C97H118N22O16 and a molecular weight of 1848.15 g/mol. Its IUPAC name is 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate
PubChem CID158174982
Molecular FormulaC97H118N22O16
Molecular Weight1848.15 g/mol
Exact Mass1846.91
IUPAC Name9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate
SMILESCc1cc(C(C)Nc2ccc(O)cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OC(=O)CCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C28H35N7O6.C27H35N7O5.C21H24N4O3.C21H24N4O2/c1-20-17-24(28-32-25(18-26(36)35(28)19-20)34-9-13-40-14-10-34)21(2)31-22-3-5-23(6-4-22)41-27(37)7-11-38-15-16-39-12-8-30-33-29;1-20-17-24(27-31-25(18-26(35)34(27)19-20)33-8-11-37-12-9-33)21(2)30-22-3-5-23(6-4-22)39-16-15-38-14-13-36-10-7-29-32-28;1-14-11-18(15(2)22-16-3-5-17(26)6-4-16)21-23-19(12-20(27)25(21)13-14)24-7-9-28-10-8-24;1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-6,17-19,21,31H,7-16H2,1-2H3;3-6,17-19,21,30H,7-16H2,1-2H3;3-6,11-13,15,22,26H,7-10H2,1-2H3;3-7,12-14,16,22H,8-11H2,1-2H3
InChIKeyFXWYQLUEMHGJDD-UHFFFAOYSA-N
XLogP13.12
TPSA425.68 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.15
LogP ≤ 513.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate with MolForge

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Launch Full Analysis

Related Compounds

9-[(1S)-1-anilinoethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 51601994
7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
9-(1-anilinoethyl)-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709081
methyl 9-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600713
9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600769
9-[1-(3,4-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709582
ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600886
propan-2-yl 9-[(1R)-1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600831
2-[[(1R)-1-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid
CID 171520304
2-[1-[7-methyl-2-(4-methyl-3-oxopiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethylamino]benzoic acid
CID 170971738
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 118709589
9-(2,6-dimethylanilino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179708

Frequently Asked Questions

What is the IUPAC name of 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate?
The IUPAC name of 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate (CID 158174982) is 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate.
What is the SMILES notation for 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate?
The canonical SMILES for 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate is Cc1cc(C(C)Nc2ccc(O)cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OC(=O)CCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)c2nc(N3CCOCC3)cc(=O)n2c1.Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate?
The InChIKey is FXWYQLUEMHGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O6.C27H35N7O5.C21H24N4O3.C21H24N4O2/c1-20-17-24(28-32-25(18-26(36)35(28)19-20)34-9-13-40-14-10-34)21(2)31-22-3-5-23(6-4-22)41-27(37)7-11-38-15-16-39-12-8-30-33-29;1-20-17-24(27-31-25(18-26(35)34(27)19-20)33-8-11-37-12-9-33)21(2)30-22-3-5-23(6-4-22)39-16-15-38-14-13-36-10-7-29-32-28;1-14-11-18(15(2)22-16-3-5-17(26)6-4-16)21-23-19(12-20(27)25(21)13-14)24-7-9-28-10-8-24;1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-6,17-19,21,31H,7-16H2,1-2H3;3-6,17-19,21,30H,7-16H2,1-2H3;3-6,11-13,15,22,26H,7-10H2,1-2H3;3-7,12-14,16,22H,8-11H2,1-2H3.
What are the key properties of 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate?
9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate has a molecular weight of 1848.15 g/mol, XLogP of 13.12, 36 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-[1-(4-hydroxyanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;[4-[1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethylamino]phenyl] 3-[2-(2-azidoethoxy)ethoxy]propanoate is sourced from PubChem (CID 158174982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).