4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C131H161N27O12 — CID 159989396

About 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159989396) has the molecular formula C131H161N27O12 and a molecular weight of 2305.91 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159989396
• Molecular Formula: C131H161N27O12
• Molecular Weight: 2305.91 g/mol
• Exact Mass: 2304.28
• IUPAC Name: 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1=O.C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O
• InChI: InChI=1S/C29H33N5O3.C29H35N5O2.2C25H32N6O2.C23H29N5O3/c1-20-16-25-26(30)31-29(37-15-14-36-2)32-27(25)34(28(20)35)19-21-8-10-23(11-9-21)24-7-5-6-22(17-24)18-33-12-3-4-13-33;1-21-16-26-27(30)31-29(36-15-14-35-2)32-28(26)34(18-21)20-22-8-10-24(11-9-22)25-7-5-6-23(17-25)19-33-12-3-4-13-33;1-4-11-29(3)25(33)22-27-21(26)20-14-17(2)24(32)31(23(20)28-22)16-19-9-7-18(8-10-19)15-30-12-5-6-13-30;1-4-10-29(3)25(33)22-27-21(26)20-13-17(2)24(32)31(23(20)28-22)16-19-9-7-8-18(14-19)15-30-11-5-6-12-30;1-16-12-19-20(24)25-23(31-11-10-30-2)26-21(19)28(22(16)29)15-18-7-5-6-17(13-18)14-27-8-3-4-9-27/h5-11,17H,1,3-4,12-16,18-19H2,2H3,(H2,30,31,32);5-11,17H,1,3-4,12-16,18-20H2,2H3,(H2,30,31,32);7-10H,2,4-6,11-16H2,1,3H3,(H2,26,27,28);7-9,14H,2,4-6,10-13,15-16H2,1,3H3,(H2,26,27,28);5-7,13H,1,3-4,8-12,14-15H2,2H3,(H2,24,25,26)
• InChIKey: OGTJCGHITUJXEH-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 455.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2305.91
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159989396) is 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1=O.C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.

What is the InChIKey of 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is OGTJCGHITUJXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C29H35N5O2.2C25H32N6O2.C23H29N5O3/c1-20-16-25-26(30)31-29(37-15-14-36-2)32-27(25)34(28(20)35)19-21-8-10-23(11-9-21)24-7-5-6-22(17-24)18-33-12-3-4-13-33;1-21-16-26-27(30)31-29(36-15-14-35-2)32-28(26)34(18-21)20-22-8-10-24(11-9-22)25-7-5-6-23(17-25)19-33-12-3-4-13-33;1-4-11-29(3)25(33)22-27-21(26)20-14-17(2)24(32)31(23(20)28-22)16-19-9-7-18(8-10-19)15-30-12-5-6-13-30;1-4-10-29(3)25(33)22-27-21(26)20-13-17(2)24(32)31(23(20)28-22)16-19-9-7-8-18(14-19)15-30-11-5-6-12-30;1-16-12-19-20(24)25-23(31-11-10-30-2)26-21(19)28(22(16)29)15-18-7-5-6-17(13-18)14-27-8-3-4-9-27/h5-11,17H,1,3-4,12-16,18-19H2,2H3,(H2,30,31,32);5-11,17H,1,3-4,12-16,18-20H2,2H3,(H2,30,31,32);7-10H,2,4-6,11-16H2,1,3H3,(H2,26,27,28);7-9,14H,2,4-6,10-13,15-16H2,1,3H3,(H2,26,27,28);5-7,13H,1,3-4,8-12,14-15H2,2H3,(H2,24,25,26).

What are the key properties of 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2305.91 g/mol, XLogP of 16.35, 40 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;4-amino-N-methyl-6-methylidene-7-oxo-N-propyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-2-carboxamide;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159989396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).