N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C149H202ClF3N30O10S — CID 161079173

IUPACN-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
SMILESC=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(CN3CCCC3)cc(C(F)(F)F)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(Cl)c(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)C(C)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)S(C)(=O)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNCC3CC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCCC3)c1)CCC(=O)C2
InChIInChI=1S/C26H35N5O2.C25H32F3N5O.C25H35N5O3S.C25H35N5O2.C24H32ClN5O.C24H33N5O/c1-4-5-11-33-26-28-24(27)23-12-18(2)14-31(25(23)29-26)17-22-8-6-7-21(13-22)16-30(19(3)32)15-20-9-10-20;1-3-4-9-34-24-30-22(29)21-10-17(2)14-33(23(21)31-24)16-19-11-18(15-32-7-5-6-8-32)12-20(13-19)25(26,27)28;1-4-5-11-33-25-27-23(26)22-12-18(2)14-29(24(22)28-25)15-20-7-6-8-21(13-20)17-30(34(3,31)32)16-19-9-10-19;1-2-3-14-32-25-27-23(26)22-16-21(31)10-13-30(24(22)28-25)18-20-9-7-8-19(15-20)17-29-11-5-4-6-12-29;1-3-4-11-31-24-27-22(26)20-12-17(2)14-30(23(20)28-24)15-18-7-8-21(25)19(13-18)16-29-9-5-6-10-29;1-3-4-10-30-24-27-22(25)21-11-17(2)15-29(23(21)28-24)16-20-7-5-6-19(12-20)14-26-13-18-8-9-18/h6-8,13,20H,2,4-5,9-12,14-17H2,1,3H3,(H2,27,28,29);11-13H,2-10,14-16H2,1H3,(H2,29,30,31);6-8,13,19H,2,4-5,9-12,14-17H2,1,3H3,(H2,26,27,28);7-9,15H,2-6,10-14,16-18H2,1H3,(H2,26,27,28);7-8,13H,2-6,9-12,14-16H2,1H3,(H2,26,27,28);5-7,12,18,26H,2-4,8-11,13-16H2,1H3,(H2,25,27,28)
InChIKeyUFRJKXXDLOUEPB-UHFFFAOYSA-N
MW2697.97 g/mol
LogP24.82
Rot. Bonds55

About N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 161079173) has the molecular formula C149H202ClF3N30O10S and a molecular weight of 2697.97 g/mol. Its IUPAC name is N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
PubChem CID161079173
Molecular FormulaC149H202ClF3N30O10S
Molecular Weight2697.97 g/mol
Exact Mass2695.56
IUPAC NameN-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
SMILESC=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(CN3CCCC3)cc(C(F)(F)F)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(Cl)c(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)C(C)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)S(C)(=O)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNCC3CC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCCC3)c1)CCC(=O)C2
InChIInChI=1S/C26H35N5O2.C25H32F3N5O.C25H35N5O3S.C25H35N5O2.C24H32ClN5O.C24H33N5O/c1-4-5-11-33-26-28-24(27)23-12-18(2)14-31(25(23)29-26)17-22-8-6-7-21(13-22)16-30(19(3)32)15-20-9-10-20;1-3-4-9-34-24-30-22(29)21-10-17(2)14-33(23(21)31-24)16-19-11-18(15-32-7-5-6-8-32)12-20(13-19)25(26,27)28;1-4-5-11-33-25-27-23(26)22-12-18(2)14-29(24(22)28-25)15-20-7-6-8-21(13-20)17-30(34(3,31)32)16-19-9-10-19;1-2-3-14-32-25-27-23(26)22-16-21(31)10-13-30(24(22)28-25)18-20-9-7-8-19(15-20)17-29-11-5-4-6-12-29;1-3-4-11-31-24-27-22(26)20-12-17(2)14-30(23(20)28-24)15-18-7-8-21(25)19(13-18)16-29-9-5-6-10-29;1-3-4-10-30-24-27-22(25)21-11-17(2)15-29(23(21)28-24)16-20-7-5-6-19(12-20)14-26-13-18-8-9-18/h6-8,13,20H,2,4-5,9-12,14-17H2,1,3H3,(H2,27,28,29);11-13H,2-10,14-16H2,1H3,(H2,29,30,31);6-8,13,19H,2,4-5,9-12,14-17H2,1,3H3,(H2,26,27,28);7-9,15H,2-6,10-14,16-18H2,1H3,(H2,26,27,28);7-8,13H,2-6,9-12,14-16H2,1H3,(H2,26,27,28);5-7,12,18,26H,2-4,8-11,13-16H2,1H3,(H2,25,27,28)
InChIKeyUFRJKXXDLOUEPB-UHFFFAOYSA-N
XLogP24.82
TPSA482.13 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds55
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002697.97
LogP ≤ 524.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 161079173) is N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(CN3CCCC3)cc(C(F)(F)F)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(Cl)c(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)C(C)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN(CC3CC3)S(C)(=O)=O)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNCC3CC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCCC3)c1)CCC(=O)C2.
What is the InChIKey of N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is UFRJKXXDLOUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.C25H32F3N5O.C25H35N5O3S.C25H35N5O2.C24H32ClN5O.C24H33N5O/c1-4-5-11-33-26-28-24(27)23-12-18(2)14-31(25(23)29-26)17-22-8-6-7-21(13-22)16-30(19(3)32)15-20-9-10-20;1-3-4-9-34-24-30-22(29)21-10-17(2)14-33(23(21)31-24)16-19-11-18(15-32-7-5-6-8-32)12-20(13-19)25(26,27)28;1-4-5-11-33-25-27-23(26)22-12-18(2)14-29(24(22)28-25)15-20-7-6-8-21(13-20)17-30(34(3,31)32)16-19-9-10-19;1-2-3-14-32-25-27-23(26)22-16-21(31)10-13-30(24(22)28-25)18-20-9-7-8-19(15-20)17-29-11-5-4-6-12-29;1-3-4-11-31-24-27-22(26)20-12-17(2)14-30(23(20)28-24)15-18-7-8-21(25)19(13-18)16-29-9-5-6-10-29;1-3-4-10-30-24-27-22(25)21-11-17(2)15-29(23(21)28-24)16-20-7-5-6-19(12-20)14-26-13-18-8-9-18/h6-8,13,20H,2,4-5,9-12,14-17H2,1,3H3,(H2,27,28,29);11-13H,2-10,14-16H2,1H3,(H2,29,30,31);6-8,13,19H,2,4-5,9-12,14-17H2,1,3H3,(H2,26,27,28);7-9,15H,2-6,10-14,16-18H2,1H3,(H2,26,27,28);7-8,13H,2-6,9-12,14-16H2,1H3,(H2,26,27,28);5-7,12,18,26H,2-4,8-11,13-16H2,1H3,(H2,25,27,28).
What are the key properties of N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?
N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2697.97 g/mol, XLogP of 24.82, 55 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161079173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).