2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C94H107F2N25O4 — CID 158958021

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nc(-c4cc5c(CC)nc(C)cn5n4)cc(=O)n3c2)CC1.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc12.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCCF)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCF)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C25H30N6O.C24H27FN6O.C23H25FN6O.C22H25N7O/c1-4-10-29-11-8-18(9-12-29)19-6-7-24-27-21(14-25(32)30(24)16-19)22-13-23-20(5-2)26-17(3)15-31(23)28-22;1-16-14-31-22(17(2)26-16)12-21(28-31)20-13-24(32)30-15-19(4-5-23(30)27-20)18-6-10-29(11-7-18)9-3-8-25;1-15-13-30-21(16(2)25-15)11-20(27-30)19-12-23(31)29-14-18(3-4-22(29)26-19)17-5-8-28(9-6-17)10-7-24;1-4-17-20-9-19(26-29(20)12-15(3)24-17)18-10-22(30)28-13-16(5-6-21(28)25-18)27-8-7-23-14(2)11-27/h6-7,13-16,18H,4-5,8-12H2,1-3H3;4-5,12-15,18H,3,6-11H2,1-2H3;3-4,11-14,17H,5-10H2,1-2H3;5-6,9-10,12-14,23H,4,7-8,11H2,1-3H3/t;;;14-/m...1/s1
InChIKeyJMGJVXUKGKVEOM-YSXYOLOCSA-N
MW1689.06 g/mol
LogP12.67
Rot. Bonds17

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158958021) has the molecular formula C94H107F2N25O4 and a molecular weight of 1689.06 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID158958021
Molecular FormulaC94H107F2N25O4
Molecular Weight1689.06 g/mol
Exact Mass1687.89
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nc(-c4cc5c(CC)nc(C)cn5n4)cc(=O)n3c2)CC1.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc12.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCCF)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCF)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C25H30N6O.C24H27FN6O.C23H25FN6O.C22H25N7O/c1-4-10-29-11-8-18(9-12-29)19-6-7-24-27-21(14-25(32)30(24)16-19)22-13-23-20(5-2)26-17(3)15-31(23)28-22;1-16-14-31-22(17(2)26-16)12-21(28-31)20-13-24(32)30-15-19(4-5-23(30)27-20)18-6-10-29(11-7-18)9-3-8-25;1-15-13-30-21(16(2)25-15)11-20(27-30)19-12-23(31)29-14-18(3-4-22(29)26-19)17-5-8-28(9-6-17)10-7-24;1-4-17-20-9-19(26-29(20)12-15(3)24-17)18-10-22(30)28-13-16(5-6-21(28)25-18)27-8-7-23-14(2)11-27/h6-7,13-16,18H,4-5,8-12H2,1-3H3;4-5,12-15,18H,3,6-11H2,1-2H3;3-4,11-14,17H,5-10H2,1-2H3;5-6,9-10,12-14,23H,4,7-8,11H2,1-3H3/t;;;14-/m...1/s1
InChIKeyJMGJVXUKGKVEOM-YSXYOLOCSA-N
XLogP12.67
TPSA283.23 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.06
LogP ≤ 512.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 158958021) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CCC(c2ccc3nc(-c4cc5c(CC)nc(C)cn5n4)cc(=O)n3c2)CC1.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc12.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCCF)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCF)CC5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JMGJVXUKGKVEOM-YSXYOLOCSA-N. The full InChI is InChI=1S/C25H30N6O.C24H27FN6O.C23H25FN6O.C22H25N7O/c1-4-10-29-11-8-18(9-12-29)19-6-7-24-27-21(14-25(32)30(24)16-19)22-13-23-20(5-2)26-17(3)15-31(23)28-22;1-16-14-31-22(17(2)26-16)12-21(28-31)20-13-24(32)30-15-19(4-5-23(30)27-20)18-6-10-29(11-7-18)9-3-8-25;1-15-13-30-21(16(2)25-15)11-20(27-30)19-12-23(31)29-14-18(3-4-22(29)26-19)17-5-8-28(9-6-17)10-7-24;1-4-17-20-9-19(26-29(20)12-15(3)24-17)18-10-22(30)28-13-16(5-6-21(28)25-18)27-8-7-23-14(2)11-27/h6-7,13-16,18H,4-5,8-12H2,1-3H3;4-5,12-15,18H,3,6-11H2,1-2H3;3-4,11-14,17H,5-10H2,1-2H3;5-6,9-10,12-14,23H,4,7-8,11H2,1-3H3/t;;;14-/m...1/s1.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1689.06 g/mol, XLogP of 12.67, 17 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158958021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).