6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

C213H231F6N27O18 — CID 157111804

IUPAC6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2.CC(F)(F)c1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1cccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)c1.Cc1cccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)c1.Cc1cccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)c1.Cn1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29F2N3O2.2C25H29N3O2.C24H25F2N3O2.C23H23F2N3O2.2C23H25N3O2.2C22H23N3O2/c1-18(2)31-23-13-14-29(15-19-7-5-4-6-8-19)17-22(23)24(32)30(25(31)33)16-20-9-11-21(12-10-20)26(3,27)28;1-18(2)28-23-12-13-26(15-20-9-5-4-6-10-20)17-22(23)24(29)27(25(28)30)16-21-11-7-8-19(3)14-21;1-18(2)28-23-13-14-26(15-20-7-5-4-6-8-20)17-22(23)24(29)27(25(28)30)16-21-11-9-19(3)10-12-21;1-24(25,26)19-10-8-18(9-11-19)15-29-22(30)20-16-28(14-17-6-4-3-5-7-17)13-12-21(20)27(2)23(29)31;1-23(24,25)18-9-7-17(8-10-18)14-28-21(29)19-15-27(12-11-20(19)26-22(28)30)13-16-5-3-2-4-6-16;1-17-7-6-10-19(13-17)15-26-22(27)20-16-25(14-18-8-4-3-5-9-18)12-11-21(20)24(2)23(26)28;1-17-8-10-19(11-9-17)15-26-22(27)20-16-25(14-18-6-4-3-5-7-18)13-12-21(20)24(2)23(26)28;1-16-6-5-9-18(12-16)14-25-21(26)19-15-24(11-10-20(19)23-22(25)27)13-17-7-3-2-4-8-17;1-16-7-9-18(10-8-16)14-25-21(26)19-15-24(12-11-20(19)23-22(25)27)13-17-5-3-2-4-6-17/h4-12,18H,13-17H2,1-3H3;4-11,14,18H,12-13,15-17H2,1-3H3;4-12,18H,13-17H2,1-3H3;3-11H,12-16H2,1-2H3;2-10H,11-15H2,1H3,(H,26,30);3-10,13H,11-12,14-16H2,1-2H3;3-11H,12-16H2,1-2H3;2-9,12H,10-11,13-15H2,1H3,(H,23,27);2-10H,11-15H2,1H3,(H,23,27)
InChIKeyAGYCDEMAJAVWMG-UHFFFAOYSA-N
MW3571.35 g/mol
LogP27.67
Rot. Bonds42

About 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 157111804) has the molecular formula C213H231F6N27O18 and a molecular weight of 3571.35 g/mol. Its IUPAC name is 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID157111804
Molecular FormulaC213H231F6N27O18
Molecular Weight3571.35 g/mol
Exact Mass3568.79
IUPAC Name6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2.CC(F)(F)c1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1cccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)c1.Cc1cccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)c1.Cc1cccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)c1.Cn1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29F2N3O2.2C25H29N3O2.C24H25F2N3O2.C23H23F2N3O2.2C23H25N3O2.2C22H23N3O2/c1-18(2)31-23-13-14-29(15-19-7-5-4-6-8-19)17-22(23)24(32)30(25(31)33)16-20-9-11-21(12-10-20)26(3,27)28;1-18(2)28-23-12-13-26(15-20-9-5-4-6-10-20)17-22(23)24(29)27(25(28)30)16-21-11-7-8-19(3)14-21;1-18(2)28-23-13-14-26(15-20-7-5-4-6-8-20)17-22(23)24(29)27(25(28)30)16-21-11-9-19(3)10-12-21;1-24(25,26)19-10-8-18(9-11-19)15-29-22(30)20-16-28(14-17-6-4-3-5-7-17)13-12-21(20)27(2)23(29)31;1-23(24,25)18-9-7-17(8-10-18)14-28-21(29)19-15-27(12-11-20(19)26-22(28)30)13-16-5-3-2-4-6-16;1-17-7-6-10-19(13-17)15-26-22(27)20-16-25(14-18-8-4-3-5-9-18)12-11-21(20)24(2)23(26)28;1-17-8-10-19(11-9-17)15-26-22(27)20-16-25(14-18-6-4-3-5-7-18)13-12-21(20)24(2)23(26)28;1-16-6-5-9-18(12-16)14-25-21(26)19-15-24(11-10-20(19)23-22(25)27)13-17-7-3-2-4-8-17;1-16-7-9-18(10-8-16)14-25-21(26)19-15-24(12-11-20(19)23-22(25)27)13-17-5-3-2-4-6-17/h4-12,18H,13-17H2,1-3H3;4-11,14,18H,12-13,15-17H2,1-3H3;4-12,18H,13-17H2,1-3H3;3-11H,12-16H2,1-2H3;2-10H,11-15H2,1H3,(H,26,30);3-10,13H,11-12,14-16H2,1-2H3;3-11H,12-16H2,1-2H3;2-9,12H,10-11,13-15H2,1H3,(H,23,27);2-10H,11-15H2,1H3,(H,23,27)
InChIKeyAGYCDEMAJAVWMG-UHFFFAOYSA-N
XLogP27.67
TPSA457.74 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003571.35
LogP ≤ 527.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Analyze 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 157111804) is 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is CC(C)n1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2.CC(F)(F)c1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1ccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)cc1.Cc1cccc(Cn2c(=O)[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)c1.Cc1cccc(Cn2c(=O)c3c(n(C(C)C)c2=O)CCN(Cc2ccccc2)C3)c1.Cc1cccc(Cn2c(=O)c3c(n(C)c2=O)CCN(Cc2ccccc2)C3)c1.Cn1c2c(c(=O)n(Cc3ccc(C(C)(F)F)cc3)c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is AGYCDEMAJAVWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2.2C25H29N3O2.C24H25F2N3O2.C23H23F2N3O2.2C23H25N3O2.2C22H23N3O2/c1-18(2)31-23-13-14-29(15-19-7-5-4-6-8-19)17-22(23)24(32)30(25(31)33)16-20-9-11-21(12-10-20)26(3,27)28;1-18(2)28-23-12-13-26(15-20-9-5-4-6-10-20)17-22(23)24(29)27(25(28)30)16-21-11-7-8-19(3)14-21;1-18(2)28-23-13-14-26(15-20-7-5-4-6-8-20)17-22(23)24(29)27(25(28)30)16-21-11-9-19(3)10-12-21;1-24(25,26)19-10-8-18(9-11-19)15-29-22(30)20-16-28(14-17-6-4-3-5-7-17)13-12-21(20)27(2)23(29)31;1-23(24,25)18-9-7-17(8-10-18)14-28-21(29)19-15-27(12-11-20(19)26-22(28)30)13-16-5-3-2-4-6-16;1-17-7-6-10-19(13-17)15-26-22(27)20-16-25(14-18-8-4-3-5-9-18)12-11-21(20)24(2)23(26)28;1-17-8-10-19(11-9-17)15-26-22(27)20-16-25(14-18-6-4-3-5-7-18)13-12-21(20)24(2)23(26)28;1-16-6-5-9-18(12-16)14-25-21(26)19-15-24(11-10-20(19)23-22(25)27)13-17-7-3-2-4-8-17;1-16-7-9-18(10-8-16)14-25-21(26)19-15-24(12-11-20(19)23-22(25)27)13-17-5-3-2-4-6-17/h4-12,18H,13-17H2,1-3H3;4-11,14,18H,12-13,15-17H2,1-3H3;4-12,18H,13-17H2,1-3H3;3-11H,12-16H2,1-2H3;2-10H,11-15H2,1H3,(H,26,30);3-10,13H,11-12,14-16H2,1-2H3;3-11H,12-16H2,1-2H3;2-9,12H,10-11,13-15H2,1H3,(H,23,27);2-10H,11-15H2,1H3,(H,23,27).
What are the key properties of 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 3571.35 g/mol, XLogP of 27.67, 42 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(3-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;6-benzyl-3-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 157111804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).