3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C88H75F12N25O7 — CID 165081451

IUPAC3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2C(=O)N(c3ccc(C)cn3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc(C)nc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nccn4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1.Cc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc4ncccc4c3)C2=O)cc1
InChIInChI=1S/C24H19F3N6O.C22H18F3N7O2.2C21H19F3N6O2/c1-15-4-6-18(7-5-15)32-13-17-12-29-22(30-14-24(25,26)27)31-21(17)33(23(32)34)19-8-9-20-16(11-19)3-2-10-28-20;1-34-17-5-2-15(3-6-17)32-19-14(10-27-20(29-19)28-13-22(23,24)25)11-31(21(32)33)16-4-7-18-26-8-9-30(18)12-16;1-13-3-8-17(25-9-13)29-11-14-10-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-4-6-16(32-2)7-5-15;1-13-3-4-16(10-25-13)29-11-14-9-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-5-7-17(32-2)8-6-15/h2-12H,13-14H2,1H3,(H,29,30,31);2-10,12H,11,13H2,1H3,(H,27,28,29);2*3-10H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyVERWERGWAGTWDC-UHFFFAOYSA-N
MW1822.71 g/mol
LogP18.85
Rot. Bonds19

About 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 165081451) has the molecular formula C88H75F12N25O7 and a molecular weight of 1822.71 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID165081451
Molecular FormulaC88H75F12N25O7
Molecular Weight1822.71 g/mol
Exact Mass1821.61
IUPAC Name3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2C(=O)N(c3ccc(C)cn3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc(C)nc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nccn4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1.Cc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc4ncccc4c3)C2=O)cc1
InChIInChI=1S/C24H19F3N6O.C22H18F3N7O2.2C21H19F3N6O2/c1-15-4-6-18(7-5-15)32-13-17-12-29-22(30-14-24(25,26)27)31-21(17)33(23(32)34)19-8-9-20-16(11-19)3-2-10-28-20;1-34-17-5-2-15(3-6-17)32-19-14(10-27-20(29-19)28-13-22(23,24)25)11-31(21(32)33)16-4-7-18-26-8-9-30(18)12-16;1-13-3-8-17(25-9-13)29-11-14-10-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-4-6-16(32-2)7-5-15;1-13-3-4-16(10-25-13)29-11-14-9-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-5-7-17(32-2)8-6-15/h2-12H,13-14H2,1H3,(H,29,30,31);2-10,12H,11,13H2,1H3,(H,27,28,29);2*3-10H,11-12H2,1-2H3,(H,26,27,28)
InChIKeyVERWERGWAGTWDC-UHFFFAOYSA-N
XLogP18.85
TPSA329.10 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.71
LogP ≤ 518.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 153629863
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396205
2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline
CID 123133246
N-[4-[3-[(4-phenylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetamide
CID 172465967
6-N-(2-phenoxyethyl)-2-N-quinolin-6-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117080211
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-quinolin-6-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117085670
N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 163202224
1-[[4-[2-(2-Amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(4-methoxyphenyl)urea
CID 58345055
1-[3-[8-[2-Aminoethyl(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 58934042
tert-butyl N-[2-[[6-[3-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazo[1,2-a]pyrazin-8-yl]methyl-(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 58934047
1-[3-[8-[[2-Aminoethyl(pyridin-4-ylmethyl)amino]methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 58934048
5-[4-[(4-methylpiperazine-1-carbonyl)amino]pyrimidin-2-yl]oxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67530469

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 165081451) is 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is COc1ccc(N2C(=O)N(c3ccc(C)cn3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc(C)nc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nccn4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1.Cc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc4ncccc4c3)C2=O)cc1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is VERWERGWAGTWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O.C22H18F3N7O2.2C21H19F3N6O2/c1-15-4-6-18(7-5-15)32-13-17-12-29-22(30-14-24(25,26)27)31-21(17)33(23(32)34)19-8-9-20-16(11-19)3-2-10-28-20;1-34-17-5-2-15(3-6-17)32-19-14(10-27-20(29-19)28-13-22(23,24)25)11-31(21(32)33)16-4-7-18-26-8-9-30(18)12-16;1-13-3-8-17(25-9-13)29-11-14-10-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-4-6-16(32-2)7-5-15;1-13-3-4-16(10-25-13)29-11-14-9-26-19(27-12-21(22,23)24)28-18(14)30(20(29)31)15-5-7-17(32-2)8-6-15/h2-12H,13-14H2,1H3,(H,29,30,31);2-10,12H,11,13H2,1H3,(H,27,28,29);2*3-10H,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 1822.71 g/mol, XLogP of 18.85, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-6-yl-1-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(5-methyl-2-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-quinolin-6-yl-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 165081451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).