4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C233H310Cl2F3N51O22S — CID 159642282

About 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 159642282) has the molecular formula C233H310Cl2F3N51O22S and a molecular weight of 4337.34 g/mol. Its IUPAC name is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 159642282
• Molecular Formula: C233H310Cl2F3N51O22S
• Molecular Weight: 4337.34 g/mol
• Exact Mass: 4333.38
• IUPAC Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)S(C)(=O)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2
• InChI: InChI=1S/C25H33N5O3.C25H35N5O2.C24H30F3N5O2.C24H33N5O4S.2C23H30ClN5O2.C23H32N6O.C23H31N5O2.C22H29N5O2.C21H27N5O2/c1-3-4-10-33-25-27-23(26)22-12-21(32)16-30(24(22)28-25)15-20-7-5-6-19(11-20)14-29(17(2)31)13-18-8-9-18;1-4-5-13-32-24-27-22(26)20-15-21(31)25(2,3)30(23(20)28-24)17-19-10-8-9-18(14-19)16-29-11-6-7-12-29;1-2-3-8-34-23-29-21(28)20-12-19(33)15-32(22(20)30-23)14-17-9-16(13-31-6-4-5-7-31)10-18(11-17)24(25,26)27;1-3-4-10-33-24-26-22(25)21-12-20(30)16-28(23(21)27-24)13-18-6-5-7-19(11-18)15-29(34(2,31)32)14-17-8-9-17;1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;1-2-3-10-25-23-26-21(24)20-13-19(30)16-29(22(20)27-23)15-18-8-6-17(7-9-18)14-28-11-4-5-12-28;1-2-3-9-30-23-26-21(24)20-11-19(29)15-28(22(20)27-23)14-18-6-4-5-17(10-18)13-25-12-16-7-8-16;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25/h5-7,11,18H,3-4,8-10,12-16H2,1-2H3,(H2,26,27,28);8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,28,29,30);5-7,11,17H,3-4,8-10,12-16H2,1-2H3,(H2,25,26,27);6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4-6,10,16,25H,2-3,7-9,11-15H2,1H3,(H2,24,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24)
• InChIKey: MQMWDFVWQKIXSM-UHFFFAOYSA-N
• XLogP: 31.26
• TPSA: 908.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 71
• Rotatable Bonds: 85
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4337.34
LogP ≤ 5	31.26
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	71

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 159642282) is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)S(C)(=O)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.

What is the InChIKey of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is MQMWDFVWQKIXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3.C25H35N5O2.C24H30F3N5O2.C24H33N5O4S.2C23H30ClN5O2.C23H32N6O.C23H31N5O2.C22H29N5O2.C21H27N5O2/c1-3-4-10-33-25-27-23(26)22-12-21(32)16-30(24(22)28-25)15-20-7-5-6-19(11-20)14-29(17(2)31)13-18-8-9-18;1-4-5-13-32-24-27-22(26)20-15-21(31)25(2,3)30(23(20)28-24)17-19-10-8-9-18(14-19)16-29-11-6-7-12-29;1-2-3-8-34-23-29-21(28)20-12-19(33)15-32(22(20)30-23)14-17-9-16(13-31-6-4-5-7-31)10-18(11-17)24(25,26)27;1-3-4-10-33-24-26-22(25)21-12-20(30)16-28(23(21)27-24)13-18-6-5-7-19(11-18)15-29(34(2,31)32)14-17-8-9-17;1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;1-2-3-10-25-23-26-21(24)20-13-19(30)16-29(22(20)27-23)15-18-8-6-17(7-9-18)14-28-11-4-5-12-28;1-2-3-9-30-23-26-21(24)20-11-19(29)15-28(22(20)27-23)14-18-6-4-5-17(10-18)13-25-12-16-7-8-16;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25/h5-7,11,18H,3-4,8-10,12-16H2,1-2H3,(H2,26,27,28);8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,28,29,30);5-7,11,17H,3-4,8-10,12-16H2,1-2H3,(H2,25,26,27);6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4-6,10,16,25H,2-3,7-9,11-15H2,1H3,(H2,24,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24).

What are the key properties of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 4337.34 g/mol, XLogP of 31.26, 85 rotatable bonds, 12 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159642282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).