7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C111H116F6N30O5 — CID 158189510

IUPAC7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC(C)(N)CC5)ccc4n3)cc12.Cc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C23H23F3N6O.C23H27N7O.C22H21F3N6O.C22H23N5O.C21H22N6O/c1-13-8-30(9-14(2)27-13)17-4-5-20-29-19(7-21(33)32(20)12-17)16-6-18(23(24,25)26)22-28-15(3)10-31(22)11-16;1-4-17-20-11-19(27-30(20)13-15(2)25-17)18-12-22(31)29-14-16(5-6-21(29)26-18)28-9-7-23(3,24)8-10-28;1-13-9-29(6-5-26-13)16-3-4-19-28-18(8-20(32)31(19)12-16)15-7-17(22(23,24)25)21-27-14(2)10-30(21)11-15;1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h4-7,10-14,27H,8-9H2,1-3H3;5-6,11-14H,4,7-10,24H2,1-3H3;3-4,7-8,10-13,26H,5-6,9H2,1-2H3;3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3/t13-,14+;;13-;;/m..0../s1
InChIKeyFZOLQKXWOSSRSV-OCCVZURSSA-N
MW2064.34 g/mol
LogP14.24
Rot. Bonds11

About 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158189510) has the molecular formula C111H116F6N30O5 and a molecular weight of 2064.34 g/mol. Its IUPAC name is 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID158189510
Molecular FormulaC111H116F6N30O5
Molecular Weight2064.34 g/mol
Exact Mass2062.96
IUPAC Name7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC(C)(N)CC5)ccc4n3)cc12.Cc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C23H23F3N6O.C23H27N7O.C22H21F3N6O.C22H23N5O.C21H22N6O/c1-13-8-30(9-14(2)27-13)17-4-5-20-29-19(7-21(33)32(20)12-17)16-6-18(23(24,25)26)22-28-15(3)10-31(22)11-16;1-4-17-20-11-19(27-30(20)13-15(2)25-17)18-12-22(31)29-14-16(5-6-21(29)26-18)28-9-7-23(3,24)8-10-28;1-13-9-29(6-5-26-13)16-3-4-19-28-18(8-20(32)31(19)12-16)15-7-17(22(23,24)25)21-27-14(2)10-30(21)11-15;1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h4-7,10-14,27H,8-9H2,1-3H3;5-6,11-14H,4,7-10,24H2,1-3H3;3-4,7-8,10-13,26H,5-6,9H2,1-2H3;3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3/t13-,14+;;13-;;/m..0../s1
InChIKeyFZOLQKXWOSSRSV-OCCVZURSSA-N
XLogP14.24
TPSA359.38 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.34
LogP ≤ 514.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

US11058688, Example 55
CID 139530416
3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide;N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 168458936
3-[(3R)-3-[[5-fluoro-6-[4-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140606
(2-Imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123228048
N-pyrimidin-4-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]-7-[[6-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]indazol-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123415846
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
2-[[4-[3-[2-[[6-[3-[2-[(4-Amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-2-methylanilino]purin-9-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-4-fluoroanilino]-3-cyclopropylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 132146131
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136619702
3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139570970
4-[8-[4-(3,3-difluoropiperidin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;ethane;N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 143682000

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 158189510) is 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC(C)(N)CC5)ccc4n3)cc12.Cc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cn(C)nc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FZOLQKXWOSSRSV-OCCVZURSSA-N. The full InChI is InChI=1S/C23H23F3N6O.C23H27N7O.C22H21F3N6O.C22H23N5O.C21H22N6O/c1-13-8-30(9-14(2)27-13)17-4-5-20-29-19(7-21(33)32(20)12-17)16-6-18(23(24,25)26)22-28-15(3)10-31(22)11-16;1-4-17-20-11-19(27-30(20)13-15(2)25-17)18-12-22(31)29-14-16(5-6-21(29)26-18)28-9-7-23(3,24)8-10-28;1-13-9-29(6-5-26-13)16-3-4-19-28-18(8-20(32)31(19)12-16)15-7-17(22(23,24)25)21-27-14(2)10-30(21)11-15;1-14-9-17(10-18-12-26(2)25-22(14)18)19-11-21(28)27-13-16(3-4-20(27)24-19)15-5-7-23-8-6-15;1-14-9-15(10-16-12-25(2)24-21(14)16)18-11-20(28)27-13-17(3-4-19(27)23-18)26-7-5-22-6-8-26/h4-7,10-14,27H,8-9H2,1-3H3;5-6,11-14H,4,7-10,24H2,1-3H3;3-4,7-8,10-13,26H,5-6,9H2,1-2H3;3-4,9-13,15,23H,5-8H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3/t13-,14+;;13-;;/m..0../s1.
What are the key properties of 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2064.34 g/mol, XLogP of 14.24, 11 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158189510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).