7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C108H126N20O15 — CID 160832050

IUPAC7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2ccc3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCCN(C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCCNCC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)cc1OC
InChIInChI=1S/3C22H26N4O3.2C21H24N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-24-9-4-10-25(12-11-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-4-24-9-11-25(12-10-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-14-12-24(9-8-22-14)16-5-7-20-23-17(11-21(26)25(20)13-16)15-4-6-18(27-2)19(10-15)28-3;1-27-18-6-4-15(12-19(18)28-2)17-13-21(26)25-14-16(5-7-20(25)23-17)24-10-3-8-22-9-11-24/h5-8,11-13,23H,9-10,14H2,1-4H3;2*5-8,13-15H,4,9-12H2,1-3H3;4-7,10-11,13-14,22H,8-9,12H2,1-3H3;4-7,12-14,22H,3,8-11H2,1-2H3/t;;;14-;/m...1./s1
InChIKeySGXQEAPRFZKJHN-LMYCVJAESA-N
MW1944.32 g/mol
LogP11.96
Rot. Bonds21

About 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 160832050) has the molecular formula C108H126N20O15 and a molecular weight of 1944.32 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID160832050
Molecular FormulaC108H126N20O15
Molecular Weight1944.32 g/mol
Exact Mass1942.97
IUPAC Name7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2ccc3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCCN(C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCCNCC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)cc1OC
InChIInChI=1S/3C22H26N4O3.2C21H24N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-24-9-4-10-25(12-11-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-4-24-9-11-25(12-10-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-14-12-24(9-8-22-14)16-5-7-20-23-17(11-21(26)25(20)13-16)15-4-6-18(27-2)19(10-15)28-3;1-27-18-6-4-15(12-19(18)28-2)17-13-21(26)25-14-16(5-7-20(25)23-17)24-10-3-8-22-9-11-24/h5-8,11-13,23H,9-10,14H2,1-4H3;2*5-8,13-15H,4,9-12H2,1-3H3;4-7,10-11,13-14,22H,8-9,12H2,1-3H3;4-7,12-14,22H,3,8-11H2,1-2H3/t;;;14-;/m...1./s1
InChIKeySGXQEAPRFZKJHN-LMYCVJAESA-N
XLogP11.96
TPSA322.92 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.32
LogP ≤ 511.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 160832050) is 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CCN1CCN(c2ccc3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCCN(C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCCNCC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@H](C)C4)ccc3n2)cc1OC.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SGXQEAPRFZKJHN-LMYCVJAESA-N. The full InChI is InChI=1S/3C22H26N4O3.2C21H24N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-24-9-4-10-25(12-11-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-4-24-9-11-25(12-10-24)17-6-8-21-23-18(14-22(27)26(21)15-17)16-5-7-19(28-2)20(13-16)29-3;1-14-12-24(9-8-22-14)16-5-7-20-23-17(11-21(26)25(20)13-16)15-4-6-18(27-2)19(10-15)28-3;1-27-18-6-4-15(12-19(18)28-2)17-13-21(26)25-14-16(5-7-20(25)23-17)24-10-3-8-22-9-11-24/h5-8,11-13,23H,9-10,14H2,1-4H3;2*5-8,13-15H,4,9-12H2,1-3H3;4-7,10-11,13-14,22H,8-9,12H2,1-3H3;4-7,12-14,22H,3,8-11H2,1-2H3/t;;;14-;/m...1./s1.
What are the key properties of 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1944.32 g/mol, XLogP of 11.96, 21 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160832050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).