7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C94H112N28O4 — CID 157201416

About 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157201416) has the molecular formula C94H112N28O4 and a molecular weight of 1698.12 g/mol. Its IUPAC name is 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157201416
• Molecular Formula: C94H112N28O4
• Molecular Weight: 1698.12 g/mol
• Exact Mass: 1696.94
• IUPAC Name: 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN(CC)CC1CN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCN(CC)C[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCNC[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.Cc1cn2nc(-c3cc(=O)n4cc(N5CC(CN(C)C)C5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/C25H31N7O.C24H29N7O.C23H27N7O.C22H25N7O/c1-5-29(6-2)14-19-9-10-30(15-19)20-7-8-24-27-21(12-25(33)31(24)16-20)22-11-23-18(4)26-17(3)13-32(23)28-22;1-5-28(6-2)12-18-13-29(14-18)19-7-8-23-26-20(10-24(32)30(23)15-19)21-9-22-17(4)25-16(3)11-31(22)27-21;1-4-24-11-17-7-8-28(13-17)18-5-6-22-26-19(10-23(31)29(22)14-18)20-9-21-16(3)25-15(2)12-30(21)27-20;1-14-9-29-20(15(2)23-14)7-19(25-29)18-8-22(30)28-13-17(5-6-21(28)24-18)27-11-16(12-27)10-26(3)4/h7-8,11-13,16,19H,5-6,9-10,14-15H2,1-4H3;7-11,15,18H,5-6,12-14H2,1-4H3;5-6,9-10,12,14,17,24H,4,7-8,11,13H2,1-3H3;5-9,13,16H,10-12H2,1-4H3/t19-;;17-;/m0.0./s1
• InChIKey: AQVMMVYIFUSMOV-XVBZQAERSA-N
• XLogP: 10.46
• TPSA: 292.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.12
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 157201416) is 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CCN(CC)CC1CN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCN(CC)C[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCNC[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.Cc1cn2nc(-c3cc(=O)n4cc(N5CC(CN(C)C)C5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AQVMMVYIFUSMOV-XVBZQAERSA-N. The full InChI is InChI=1S/C25H31N7O.C24H29N7O.C23H27N7O.C22H25N7O/c1-5-29(6-2)14-19-9-10-30(15-19)20-7-8-24-27-21(12-25(33)31(24)16-20)22-11-23-18(4)26-17(3)13-32(23)28-22;1-5-28(6-2)12-18-13-29(14-18)19-7-8-23-26-20(10-24(32)30(23)15-19)21-9-22-17(4)25-16(3)11-31(22)27-21;1-4-24-11-17-7-8-28(13-17)18-5-6-22-26-19(10-23(31)29(22)14-18)20-9-21-16(3)25-15(2)12-30(21)27-20;1-14-9-29-20(15(2)23-14)7-19(25-29)18-8-22(30)28-13-17(5-6-21(28)24-18)27-11-16(12-27)10-26(3)4/h7-8,11-13,16,19H,5-6,9-10,14-15H2,1-4H3;7-11,15,18H,5-6,12-14H2,1-4H3;5-6,9-10,12,14,17,24H,4,7-8,11,13H2,1-3H3;5-9,13,16H,10-12H2,1-4H3/t19-;;17-;/m0.0./s1.

What are the key properties of 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1698.12 g/mol, XLogP of 10.46, 21 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(diethylaminomethyl)azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[3-[(dimethylamino)methyl]azetidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157201416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).