4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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

C126H160N28O10 — CID 158064848

About 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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 158064848) has the molecular formula C126H160N28O10 and a molecular weight of 2226.85 g/mol. Its IUPAC name is 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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: 158064848
• Molecular Formula: C126H160N28O10
• Molecular Weight: 2226.85 g/mol
• Exact Mass: 2225.29
• IUPAC Name: 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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(NCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O
• InChI: InChI=1S/C29H35N5O2.2C25H32N6O2.C24H32N6O.C23H29N5O3/c1-21-16-26-27(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;1-3-4-10-26-24-27-21(25)20-13-17(2)23(31)30(22(20)28-24)16-19-9-7-8-18(14-19)15-29-11-5-6-12-29;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,1,3-4,12-16,18-20H2,2H3,(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);7-9,14H,2-6,10-13,15-16H2,1H3,(H3,25,26,27,28);5-7,13H,1,3-4,8-12,14-15H2,2H3,(H2,24,25,26)
• InChIKey: FLCFDPMWPMSMCU-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 449.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 39
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.85
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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 158064848) is 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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(NCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2cccc(CN3CCCC3)c2)C1=O.

What is the InChIKey of 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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 FLCFDPMWPMSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2.2C25H32N6O2.C24H32N6O.C23H29N5O3/c1-21-16-26-27(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;1-3-4-10-26-24-27-21(25)20-13-17(2)23(31)30(22(20)28-24)16-19-9-7-8-18(14-19)15-29-11-5-6-12-29;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,1,3-4,12-16,18-20H2,2H3,(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);7-9,14H,2-6,10-13,15-16H2,1H3,(H3,25,26,27,28);5-7,13H,1,3-4,8-12,14-15H2,2H3,(H2,24,25,26).

What are the key properties of 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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 2226.85 g/mol, XLogP of 15.87, 39 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(butylamino)-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-[[3-(pyrrolidin-1-ylmethyl)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 158064848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).