7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one

C100H98F3N23O8S — CID 164988001

IUPAC7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCN(CC)c1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(N(C)C)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(NC4CCC4)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(SCC(F)(F)F)nc32)cc1
InChIInChI=1S/C26H26N6O2.C26H28N6O2.C24H20F3N5O2S.C24H24N6O2/c1-30-15-18-14-21(9-12-23(18)29-30)31-16-17-6-13-24(27-19-4-3-5-19)28-25(17)32(26(31)33)20-7-10-22(34-2)11-8-20;1-5-30(6-2)24-14-7-18-17-31(21-10-13-23-19(15-21)16-29(3)28-23)26(33)32(25(18)27-24)20-8-11-22(34-4)12-9-20;1-30-12-16-11-18(6-9-20(16)29-30)31-13-15-3-10-21(35-14-24(25,26)27)28-22(15)32(23(31)33)17-4-7-19(34-2)8-5-17;1-27(2)22-12-5-16-15-29(19-8-11-21-17(13-19)14-28(3)26-21)24(31)30(23(16)25-22)18-6-9-20(32-4)10-7-18/h6-15,19H,3-5,16H2,1-2H3,(H,27,28);7-16H,5-6,17H2,1-4H3;3-12H,13-14H2,1-2H3;5-14H,15H2,1-4H3
InChIKeyGLERNLJNTSRHEE-UHFFFAOYSA-N
MW1839.10 g/mol
LogP20.55
Rot. Bonds20

About 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164988001) has the molecular formula C100H98F3N23O8S and a molecular weight of 1839.10 g/mol. Its IUPAC name is 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID164988001
Molecular FormulaC100H98F3N23O8S
Molecular Weight1839.10 g/mol
Exact Mass1837.76
IUPAC Name7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCN(CC)c1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(N(C)C)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(NC4CCC4)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(SCC(F)(F)F)nc32)cc1
InChIInChI=1S/C26H26N6O2.C26H28N6O2.C24H20F3N5O2S.C24H24N6O2/c1-30-15-18-14-21(9-12-23(18)29-30)31-16-17-6-13-24(27-19-4-3-5-19)28-25(17)32(26(31)33)20-7-10-22(34-2)11-8-20;1-5-30(6-2)24-14-7-18-17-31(21-10-13-23-19(15-21)16-29(3)28-23)26(33)32(25(18)27-24)20-8-11-22(34-4)12-9-20;1-30-12-16-11-18(6-9-20(16)29-30)31-13-15-3-10-21(35-14-24(25,26)27)28-22(15)32(23(31)33)17-4-7-19(34-2)8-5-17;1-27(2)22-12-5-16-15-29(19-8-11-21-17(13-19)14-28(3)26-21)24(31)30(23(16)25-22)18-6-9-20(32-4)10-7-18/h6-15,19H,3-5,16H2,1-2H3,(H,27,28);7-16H,5-6,17H2,1-4H3;3-12H,13-14H2,1-2H3;5-14H,15H2,1-4H3
InChIKeyGLERNLJNTSRHEE-UHFFFAOYSA-N
XLogP20.55
TPSA272.47 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001839.10
LogP ≤ 520.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164988001) is 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one is CCN(CC)c1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(N(C)C)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(NC4CCC4)nc32)cc1.COc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(SCC(F)(F)F)nc32)cc1.
What is the InChIKey of 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GLERNLJNTSRHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C26H28N6O2.C24H20F3N5O2S.C24H24N6O2/c1-30-15-18-14-21(9-12-23(18)29-30)31-16-17-6-13-24(27-19-4-3-5-19)28-25(17)32(26(31)33)20-7-10-22(34-2)11-8-20;1-5-30(6-2)24-14-7-18-17-31(21-10-13-23-19(15-21)16-29(3)28-23)26(33)32(25(18)27-24)20-8-11-22(34-4)12-9-20;1-30-12-16-11-18(6-9-20(16)29-30)31-13-15-3-10-21(35-14-24(25,26)27)28-22(15)32(23(31)33)17-4-7-19(34-2)8-5-17;1-27(2)22-12-5-16-15-29(19-8-11-21-17(13-19)14-28(3)26-21)24(31)30(23(16)25-22)18-6-9-20(32-4)10-7-18/h6-15,19H,3-5,16H2,1-2H3,(H,27,28);7-16H,5-6,17H2,1-4H3;3-12H,13-14H2,1-2H3;5-14H,15H2,1-4H3.
What are the key properties of 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1839.10 g/mol, XLogP of 20.55, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(diethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(dimethylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylsulfanyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164988001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).