2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one

C108H118F3N33O5 — CID 160883861

IUPAC2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2cn3c(=O)cc(-c4ccc5nc(C)cn5n4)nc3cn2)CC1.CCN1CCN(c2ccc3nc(-c4cc(C)c5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCC(c2ccc3nc(-c4ccc(N(C)C)nc4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(N(C)C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C(F)(F)F)C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H26N6O.C22H26N8O.C21H20F3N7O.C21H21N7O.C21H25N5O/c1-4-27-7-9-28(10-8-27)19-5-6-21-25-20(13-22(30)29(21)15-19)17-11-16(2)23-18(12-17)14-24-26(23)3;1-15-13-30-19(22(23-15)26(2)3)11-18(25-30)17-12-21(31)29-14-16(5-6-20(29)24-17)28-9-7-27(4)8-10-28;1-12-9-31-17(13(2)26-12)7-16(28-31)15-8-20(32)30-10-14(3-4-19(30)27-15)29-6-5-25-18(11-29)21(22,23)24;1-3-26-8-6-15(7-9-26)18-13-27-20(11-22-18)24-17(10-21(27)29)16-4-5-19-23-14(2)12-28(19)25-16;1-24(2)19-6-4-16(13-22-19)18-12-21(27)26-14-17(5-7-20(26)23-18)15-8-10-25(3)11-9-15/h5-6,11-15H,4,7-10H2,1-3H3;5-6,11-14H,7-10H2,1-4H3;3-4,7-10,18,25H,5-6,11H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3;4-7,12-15H,8-11H2,1-3H3
InChIKeySNJNHKKDWBHSDG-UHFFFAOYSA-N
MW2015.35 g/mol
LogP11.44
Rot. Bonds14

About 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one

2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 160883861) has the molecular formula C108H118F3N33O5 and a molecular weight of 2015.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
PubChem CID160883861
Molecular FormulaC108H118F3N33O5
Molecular Weight2015.35 g/mol
Exact Mass2013.99
IUPAC Name2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2cn3c(=O)cc(-c4ccc5nc(C)cn5n4)nc3cn2)CC1.CCN1CCN(c2ccc3nc(-c4cc(C)c5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCC(c2ccc3nc(-c4ccc(N(C)C)nc4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(N(C)C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C(F)(F)F)C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H26N6O.C22H26N8O.C21H20F3N7O.C21H21N7O.C21H25N5O/c1-4-27-7-9-28(10-8-27)19-5-6-21-25-20(13-22(30)29(21)15-19)17-11-16(2)23-18(12-17)14-24-26(23)3;1-15-13-30-19(22(23-15)26(2)3)11-18(25-30)17-12-21(31)29-14-16(5-6-20(29)24-17)28-9-7-27(4)8-10-28;1-12-9-31-17(13(2)26-12)7-16(28-31)15-8-20(32)30-10-14(3-4-19(30)27-15)29-6-5-25-18(11-29)21(22,23)24;1-3-26-8-6-15(7-9-26)18-13-27-20(11-22-18)24-17(10-21(27)29)16-4-5-19-23-14(2)12-28(19)25-16;1-24(2)19-6-4-16(13-22-19)18-12-21(27)26-14-17(5-7-20(26)23-18)15-8-10-25(3)11-9-15/h5-6,11-15H,4,7-10H2,1-3H3;5-6,11-14H,7-10H2,1-4H3;3-4,7-10,18,25H,5-6,11H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3;4-7,12-15H,8-11H2,1-3H3
InChIKeySNJNHKKDWBHSDG-UHFFFAOYSA-N
XLogP11.44
TPSA347.21 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds14
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.35
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[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

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
US10071079, Example 716
CID 132272556
US10544143, Example 919
CID 138686379
US10071079, Example 298
CID 132272175
US10071079, Example 299
CID 132272176
US10071079, Example 602
CID 132272455
US10071079, Example 741
CID 132272575
US10071079, Example 900
CID 132272735
US10544143, Example 962
CID 138686454
1-[(2R)-2-methyl-4-[2-[2-(methylamino)pyrimidin-5-yl]-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 146011560
US20230279024, Example 26
CID 162434519
US20230279024, Example 25
CID 162434528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one (CID 160883861) is 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one is CCN1CC=C(c2cn3c(=O)cc(-c4ccc5nc(C)cn5n4)nc3cn2)CC1.CCN1CCN(c2ccc3nc(-c4cc(C)c5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCC(c2ccc3nc(-c4ccc(N(C)C)nc4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(N(C)C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C(F)(F)F)C5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is SNJNHKKDWBHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H26N8O.C21H20F3N7O.C21H21N7O.C21H25N5O/c1-4-27-7-9-28(10-8-27)19-5-6-21-25-20(13-22(30)29(21)15-19)17-11-16(2)23-18(12-17)14-24-26(23)3;1-15-13-30-19(22(23-15)26(2)3)11-18(25-30)17-12-21(31)29-14-16(5-6-20(29)24-17)28-9-7-27(4)8-10-28;1-12-9-31-17(13(2)26-12)7-16(28-31)15-8-20(32)30-10-14(3-4-19(30)27-15)29-6-5-25-18(11-29)21(22,23)24;1-3-26-8-6-15(7-9-26)18-13-27-20(11-22-18)24-17(10-21(27)29)16-4-5-19-23-14(2)12-28(19)25-16;1-24(2)19-6-4-16(13-22-19)18-12-21(27)26-14-17(5-7-20(26)23-18)15-8-10-25(3)11-9-15/h5-6,11-15H,4,7-10H2,1-3H3;5-6,11-14H,7-10H2,1-4H3;3-4,7-10,18,25H,5-6,11H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3;4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?
2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 2015.35 g/mol, XLogP of 11.44, 14 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160883861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).