7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C96H109N23O5 — CID 159404900

IUPAC7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cc(C2CCN(C3CCC3)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cc(C2CCN(CCO)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C26H29N5O.C25H30N6O.C24H27N5O2.C21H23N7O/c1-17-12-20(18-8-10-30(11-9-18)22-4-3-5-22)16-31-25(32)14-24(27-26(17)31)19-6-7-23-21(13-19)15-29(2)28-23;1-5-8-29-9-6-19(7-10-29)20-11-16(2)25-27-21(13-24(32)30(25)15-20)22-12-23-18(4)26-17(3)14-31(23)28-22;1-16-11-19(17-5-7-28(8-6-17)9-10-30)15-29-23(31)13-22(25-24(16)29)18-3-4-21-20(12-18)14-27(2)26-21;1-13-10-26(7-6-22-13)16-4-5-20-24-17(9-21(29)27(20)12-16)18-8-19-15(3)23-14(2)11-28(19)25-18/h6-7,12-16,18,22H,3-5,8-11H2,1-2H3;11-15,19H,5-10H2,1-4H3;3-4,11-15,17,30H,5-10H2,1-2H3;4-5,8-9,11-13,22H,6-7,10H2,1-3H3/t;;;13-/m...1/s1
InChIKeyLNVCGUURSUSGIK-AQVMYGSESA-N
MW1665.08 g/mol
LogP12.75
Rot. Bonds13

About 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159404900) has the molecular formula C96H109N23O5 and a molecular weight of 1665.08 g/mol. Its IUPAC name is 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID159404900
Molecular FormulaC96H109N23O5
Molecular Weight1665.08 g/mol
Exact Mass1663.90
IUPAC Name7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cc(C2CCN(C3CCC3)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cc(C2CCN(CCO)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C26H29N5O.C25H30N6O.C24H27N5O2.C21H23N7O/c1-17-12-20(18-8-10-30(11-9-18)22-4-3-5-22)16-31-25(32)14-24(27-26(17)31)19-6-7-23-21(13-19)15-29(2)28-23;1-5-8-29-9-6-19(7-10-29)20-11-16(2)25-27-21(13-24(32)30(25)15-20)22-12-23-18(4)26-17(3)14-31(23)28-22;1-16-11-19(17-5-7-28(8-6-17)9-10-30)15-29-23(31)13-22(25-24(16)29)18-3-4-21-20(12-18)14-27(2)26-21;1-13-10-26(7-6-22-13)16-4-5-20-24-17(9-21(29)27(20)12-16)18-8-19-15(3)23-14(2)11-28(19)25-18/h6-7,12-16,18,22H,3-5,8-11H2,1-2H3;11-15,19H,5-10H2,1-4H3;3-4,11-15,17,30H,5-10H2,1-2H3;4-5,8-9,11-13,22H,6-7,10H2,1-3H3/t;;;13-/m...1/s1
InChIKeyLNVCGUURSUSGIK-AQVMYGSESA-N
XLogP12.75
TPSA278.72 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.08
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-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-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 159404900) is 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CCC(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1.Cc1cc(C2CCN(C3CCC3)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cc(C2CCN(CCO)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LNVCGUURSUSGIK-AQVMYGSESA-N. The full InChI is InChI=1S/C26H29N5O.C25H30N6O.C24H27N5O2.C21H23N7O/c1-17-12-20(18-8-10-30(11-9-18)22-4-3-5-22)16-31-25(32)14-24(27-26(17)31)19-6-7-23-21(13-19)15-29(2)28-23;1-5-8-29-9-6-19(7-10-29)20-11-16(2)25-27-21(13-24(32)30(25)15-20)22-12-23-18(4)26-17(3)14-31(23)28-22;1-16-11-19(17-5-7-28(8-6-17)9-10-30)15-29-23(31)13-22(25-24(16)29)18-3-4-21-20(12-18)14-27(2)26-21;1-13-10-26(7-6-22-13)16-4-5-20-24-17(9-21(29)27(20)12-16)18-8-19-15(3)23-14(2)11-28(19)25-18/h6-7,12-16,18,22H,3-5,8-11H2,1-2H3;11-15,19H,5-10H2,1-4H3;3-4,11-15,17,30H,5-10H2,1-2H3;4-5,8-9,11-13,22H,6-7,10H2,1-3H3/t;;;13-/m...1/s1.
What are the key properties of 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1665.08 g/mol, XLogP of 12.75, 13 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159404900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).