tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate

C151H128ClF16N35O17S6 — CID 167568960

About tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate

tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate (PubChem CID 167568960) has the molecular formula C151H128ClF16N35O17S6 and a molecular weight of 3236.74 g/mol. Its IUPAC name is tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate.

Molecular Properties

• Compound Name: tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate
• PubChem CID: 167568960
• Molecular Formula: C151H128ClF16N35O17S6
• Molecular Weight: 3236.74 g/mol
• Exact Mass: 3233.80
• IUPAC Name: tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate
• SMILES: CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1.CC(C)(C)OC(=O)N1CCc2cc(Nc3ncc4cc(C#N)c(=O)n(-c5c(F)cccc5F)c4n3)ccc2C1.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1Nc1c(F)cccc1F.COC(=O)CC#N.CS(=O)c1ncc2cc(C#N)c(=O)n(-c3c(F)cccc3F)c2n1.CSc1ncc(C=O)c(Nc2c(F)cccc2F)n1.CSc1ncc(CO)c(Nc2c(F)cccc2F)n1.CSc1ncc2cc(C#N)c(=O)n(-c3c(F)cccc3F)c2n1.N#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(-c2c(F)cccc2F)c1=O.Nc1c(F)cccc1F
• InChI: InChI=1S/C28H24F2N6O3.C23H16F2N6O.C15H8F2N4O2S.C15H8F2N4OS.C14H13F2N3O2S.C14H20N2O2.C12H11F2N3OS.C12H9F2N3OS.C8H9ClN2O2S.C6H5F2N.C4H5NO2/c1-28(2,3)39-27(38)35-10-9-16-12-20(8-7-17(16)15-35)33-26-32-14-19-11-18(13-31)25(37)36(24(19)34-26)23-21(29)5-4-6-22(23)30;24-18-2-1-3-19(25)20(18)31-21-16(8-15(10-26)22(31)32)12-28-23(30-21)29-17-5-4-14-11-27-7-6-13(14)9-17;1-24(23)15-19-7-9-5-8(6-18)14(22)21(13(9)20-15)12-10(16)3-2-4-11(12)17;1-23-15-19-7-9-5-8(6-18)14(22)21(13(9)20-15)12-10(16)3-2-4-11(12)17;1-3-21-13(20)8-7-17-14(22-2)19-12(8)18-11-9(15)5-4-6-10(11)16;1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16;2*1-19-12-15-5-7(6-18)11(17-12)16-10-8(13)3-2-4-9(10)14;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;7-4-2-1-3-5(8)6(4)9;1-7-4(6)2-3-5/h4-8,11-12,14H,9-10,15H2,1-3H3,(H,32,33,34);1-5,8-9,12,27H,6-7,11H2,(H,28,29,30);2-5,7H,1H3;2-5,7H,1H3;4-7H,3H2,1-2H3,(H,17,18,19);4-5,8H,6-7,9,15H2,1-3H3;2-5,18H,6H2,1H3,(H,15,16,17);2-6H,1H3,(H,15,16,17);4H,3H2,1-2H3;1-3H,9H2;2H2,1H3
• InChIKey: FQKKZYNGLAOHPR-UHFFFAOYSA-N
• XLogP: 27.96
• TPSA: 729.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 27
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3236.74
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate?

The IUPAC name of tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate (CID 167568960) is tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate.

What is the SMILES notation for tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate?

The canonical SMILES for tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate is CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1.CC(C)(C)OC(=O)N1CCc2cc(Nc3ncc4cc(C#N)c(=O)n(-c5c(F)cccc5F)c4n3)ccc2C1.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1Nc1c(F)cccc1F.COC(=O)CC#N.CS(=O)c1ncc2cc(C#N)c(=O)n(-c3c(F)cccc3F)c2n1.CSc1ncc(C=O)c(Nc2c(F)cccc2F)n1.CSc1ncc(CO)c(Nc2c(F)cccc2F)n1.CSc1ncc2cc(C#N)c(=O)n(-c3c(F)cccc3F)c2n1.N#Cc1cc2cnc(Nc3ccc4c(c3)CCNC4)nc2n(-c2c(F)cccc2F)c1=O.Nc1c(F)cccc1F.

What is the InChIKey of tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate?

The InChIKey is FQKKZYNGLAOHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O3.C23H16F2N6O.C15H8F2N4O2S.C15H8F2N4OS.C14H13F2N3O2S.C14H20N2O2.C12H11F2N3OS.C12H9F2N3OS.C8H9ClN2O2S.C6H5F2N.C4H5NO2/c1-28(2,3)39-27(38)35-10-9-16-12-20(8-7-17(16)15-35)33-26-32-14-19-11-18(13-31)25(37)36(24(19)34-26)23-21(29)5-4-6-22(23)30;24-18-2-1-3-19(25)20(18)31-21-16(8-15(10-26)22(31)32)12-28-23(30-21)29-17-5-4-14-11-27-7-6-13(14)9-17;1-24(23)15-19-7-9-5-8(6-18)14(22)21(13(9)20-15)12-10(16)3-2-4-11(12)17;1-23-15-19-7-9-5-8(6-18)14(22)21(13(9)20-15)12-10(16)3-2-4-11(12)17;1-3-21-13(20)8-7-17-14(22-2)19-12(8)18-11-9(15)5-4-6-10(11)16;1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16;2*1-19-12-15-5-7(6-18)11(17-12)16-10-8(13)3-2-4-9(10)14;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;7-4-2-1-3-5(8)6(4)9;1-7-4(6)2-3-5/h4-8,11-12,14H,9-10,15H2,1-3H3,(H,32,33,34);1-5,8-9,12,27H,6-7,11H2,(H,28,29,30);2-5,7H,1H3;2-5,7H,1H3;4-7H,3H2,1-2H3,(H,17,18,19);4-5,8H,6-7,9,15H2,1-3H3;2-5,18H,6H2,1H3,(H,15,16,17);2-6H,1H3,(H,15,16,17);4H,3H2,1-2H3;1-3H,9H2;2H2,1H3.

What are the key properties of tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate?

tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate has a molecular weight of 3236.74 g/mol, XLogP of 27.96, 27 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[[6-cyano-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate;2,6-difluoroaniline;4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde;[4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol;8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-(2,6-difluorophenyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate;methyl 2-cyanoacetate is sourced from PubChem (CID 167568960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).