2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C110H119N29O5 — CID 157105541

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.CCN1CCN(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.Cc1cn2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)cc(C)c4n3)cc2c(C)n1
InChIInChI=1S/C23H25N5O.C22H25N7O.C22H24N6O.C22H23N5O.C21H22N6O/c1-3-26-9-6-17(7-10-26)19-4-5-21-25-20(13-23(29)28(21)15-19)18-8-11-27-14-16(2)24-22(27)12-18;1-13-7-17(27-6-5-23-14(2)10-27)12-28-21(30)9-18(25-22(13)28)19-8-20-16(4)24-15(3)11-29(20)26-19;1-3-25-8-10-26(11-9-25)18-4-5-20-24-19(13-22(29)28(20)15-18)17-6-7-27-14-16(2)23-21(27)12-17;1-15-13-26-10-7-17(11-21(26)23-15)19-12-22(28)27-14-18(3-4-20(27)24-19)16-5-8-25(2)9-6-16;1-15-13-26-6-5-16(11-20(26)22-15)18-12-21(28)27-14-17(3-4-19(27)23-18)25-9-7-24(2)8-10-25/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3;7-9,11-12,14,23H,5-6,10H2,1-4H3;4-7,12-15H,3,8-11H2,1-2H3;3-4,7,10-14,16H,5-6,8-9H2,1-2H3;3-6,11-14H,7-10H2,1-2H3/t;14-;;;/m.0.../s1
InChIKeyAGGITOCZXHCPFX-ONKSPNTESA-N
MW1927.36 g/mol
LogP13.30
Rot. Bonds12

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157105541) has the molecular formula C110H119N29O5 and a molecular weight of 1927.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID157105541
Molecular FormulaC110H119N29O5
Molecular Weight1927.36 g/mol
Exact Mass1925.99
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.CCN1CCN(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.Cc1cn2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)cc(C)c4n3)cc2c(C)n1
InChIInChI=1S/C23H25N5O.C22H25N7O.C22H24N6O.C22H23N5O.C21H22N6O/c1-3-26-9-6-17(7-10-26)19-4-5-21-25-20(13-23(29)28(21)15-19)18-8-11-27-14-16(2)24-22(27)12-18;1-13-7-17(27-6-5-23-14(2)10-27)12-28-21(30)9-18(25-22(13)28)19-8-20-16(4)24-15(3)11-29(20)26-19;1-3-25-8-10-26(11-9-25)18-4-5-20-24-19(13-22(29)28(20)15-18)17-6-7-27-14-16(2)23-21(27)12-17;1-15-13-26-10-7-17(11-21(26)23-15)19-12-22(28)27-14-18(3-4-20(27)24-19)16-5-8-25(2)9-6-16;1-15-13-26-6-5-16(11-20(26)22-15)18-12-21(28)27-14-17(3-4-19(27)23-18)25-9-7-24(2)8-10-25/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3;7-9,11-12,14,23H,5-6,10H2,1-4H3;4-7,12-15H,3,8-11H2,1-2H3;3-4,7,10-14,16H,5-6,8-9H2,1-2H3;3-6,11-14H,7-10H2,1-2H3/t;14-;;;/m.0.../s1
InChIKeyAGGITOCZXHCPFX-ONKSPNTESA-N
XLogP13.30
TPSA305.95 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.36
LogP ≤ 513.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{1-[8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 66802145
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 127049306
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]imidazo[4,5-c]pyridin-3-yl]phenyl]prop-2-enamide
CID 127049307
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]propyl]prop-2-enamide
CID 127051146
N-[2-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]ethyl]prop-2-enamide
CID 127052082
US10730877, Example 773
CID 138686644
US10730877, Example 785
CID 138687003
US10730877, Example 772
CID 138687013
US10730877, Example 767
CID 138722015
US10730877, Example 784
CID 138725447
US10730877, Example 776
CID 138725606
US11111247, Example 21
CID 146448882

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157105541) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-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)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.CCN1CCN(c2ccc3nc(-c4ccn5cc(C)nc5c4)cc(=O)n3c2)CC1.Cc1cn2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)cc(C)c4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AGGITOCZXHCPFX-ONKSPNTESA-N. The full InChI is InChI=1S/C23H25N5O.C22H25N7O.C22H24N6O.C22H23N5O.C21H22N6O/c1-3-26-9-6-17(7-10-26)19-4-5-21-25-20(13-23(29)28(21)15-19)18-8-11-27-14-16(2)24-22(27)12-18;1-13-7-17(27-6-5-23-14(2)10-27)12-28-21(30)9-18(25-22(13)28)19-8-20-16(4)24-15(3)11-29(20)26-19;1-3-25-8-10-26(11-9-25)18-4-5-20-24-19(13-22(29)28(20)15-18)17-6-7-27-14-16(2)23-21(27)12-17;1-15-13-26-10-7-17(11-21(26)23-15)19-12-22(28)27-14-18(3-4-20(27)24-19)16-5-8-25(2)9-6-16;1-15-13-26-6-5-16(11-20(26)22-15)18-12-21(28)27-14-17(3-4-19(27)23-18)25-9-7-24(2)8-10-25/h4-5,8,11-15,17H,3,6-7,9-10H2,1-2H3;7-9,11-12,14,23H,5-6,10H2,1-4H3;4-7,12-15H,3,8-11H2,1-2H3;3-4,7,10-14,16H,5-6,8-9H2,1-2H3;3-6,11-14H,7-10H2,1-2H3/t;14-;;;/m.0.../s1.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1927.36 g/mol, XLogP of 13.30, 12 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157105541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).