5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C144H157ClF7N21O23 — CID 160555317

IUPAC5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.Cc1ccc(Cc2c(OC(C)C)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1
InChIInChI=1S/C27H28ClN3O3.C27H28FN3O4.C25H23F3N4O4.C24H22F3N5O4.C22H27N3O4.C19H29N3O4/c1-17(2)20-7-4-5-8-21(20)23-16-29-25-24(22(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28;1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27;1-14(2)29-18-13-23-20-19(17(18)12-16-8-6-15(3)7-9-16)21(27)25(10-5-11-26)22(28)24(20)4;1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3;4-5,7-12,16-17,32H,6,13-15H2,1-3H3;3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3;4-5,8,10-13,33H,3,6-7,9H2,1-2H3;6-9,13-14,26H,5,10-12H2,1-4H3;11-13,23H,6-10H2,1-5H3
InChIKeyQYPLELIPQYMPHE-UHFFFAOYSA-N
MW2718.40 g/mol
LogP19.21
Rot. Bonds44

About 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 160555317) has the molecular formula C144H157ClF7N21O23 and a molecular weight of 2718.40 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID160555317
Molecular FormulaC144H157ClF7N21O23
Molecular Weight2718.40 g/mol
Exact Mass2716.13
IUPAC Name5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.Cc1ccc(Cc2c(OC(C)C)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1
InChIInChI=1S/C27H28ClN3O3.C27H28FN3O4.C25H23F3N4O4.C24H22F3N5O4.C22H27N3O4.C19H29N3O4/c1-17(2)20-7-4-5-8-21(20)23-16-29-25-24(22(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28;1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27;1-14(2)29-18-13-23-20-19(17(18)12-16-8-6-15(3)7-9-16)21(27)25(10-5-11-26)22(28)24(20)4;1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3;4-5,7-12,16-17,32H,6,13-15H2,1-3H3;3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3;4-5,8,10-13,33H,3,6-7,9H2,1-2H3;6-9,13-14,26H,5,10-12H2,1-4H3;11-13,23H,6-10H2,1-5H3
InChIKeyQYPLELIPQYMPHE-UHFFFAOYSA-N
XLogP19.21
TPSA547.54 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds44
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.40
LogP ≤ 519.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(3-hydroxypropyl)-1-methyl-6-(3-(trifluoromethyl)phenoxy)-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875482
3-(3-hydroxypropyl)-1-methyl-6-(5-methylpyridin-3-yloxy)-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875507
6-(3-chlorophenoxy)-3-(3-hydroxypropyl)-1-methyl-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875523
5-((4-chlorophenyl)(hydroxy)methyl)-1-methyl-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)-6-(6-(trifluoromethyl)pyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875493
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-(6-(trifluoromethyl)pyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875497
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-((5-(trifluoromethyl)pyridin-3-yl)oxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875548
3-Butyl-5-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrido[2,3-d]pyrimidine-2,4-dione
CID 122527025
5-[(5-Chloropyridin-2-yl)-hydroxymethyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 122527049
3-Butyl-5-[(5-chloro-2-pyridinyl)-hydroxymethyl]-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 122527050
5-[(5-Chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122527069
3-(3-Hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 122527071
5-[(4-Chlorophenyl)methyl]-6-[[5-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122527073

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 160555317) is 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCc1c(OC(C)C)cnc2c1c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C.CC(C)c1ccccc1Oc1cnc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.Cc1ccc(Cc2c(OC(C)C)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.Cc1cncc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QYPLELIPQYMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3.C27H28FN3O4.C25H23F3N4O4.C24H22F3N5O4.C22H27N3O4.C19H29N3O4/c1-17(2)20-7-4-5-8-21(20)23-16-29-25-24(22(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-17(2)20-7-4-5-8-22(20)35-23-16-29-25-24(21(23)15-18-9-11-19(28)12-10-18)26(33)31(13-6-14-32)27(34)30(25)3;1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28;1-14-8-16(12-28-10-14)36-18-13-30-21-20(22(34)32(6-3-7-33)23(35)31(21)2)17(18)9-15-4-5-19(29-11-15)24(25,26)27;1-14(2)29-18-13-23-20-19(17(18)12-16-8-6-15(3)7-9-16)21(27)25(10-5-11-26)22(28)24(20)4;1-12(2)7-8-14-15(26-13(3)4)11-20-17-16(14)18(24)22(9-6-10-23)19(25)21(17)5/h4-5,7-12,16-17,32H,6,13-15H2,1-3H3;4-5,7-12,16-17,32H,6,13-15H2,1-3H3;3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3;4-5,8,10-13,33H,3,6-7,9H2,1-2H3;6-9,13-14,26H,5,10-12H2,1-4H3;11-13,23H,6-10H2,1-5H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2718.40 g/mol, XLogP of 19.21, 44 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 160555317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).