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

C118H140N20O8 — CID 160775509

About 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 160775509) has the molecular formula C118H140N20O8 and a molecular weight of 1966.55 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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: 160775509
• Molecular Formula: C118H140N20O8
• Molecular Weight: 1966.55 g/mol
• Exact Mass: 1965.12
• IUPAC Name: 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1.C=C1C(=O)Cc2c(N)nc(OCCOC)nc2N1Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1
• InChI: InChI=1S/C30H35N5O2.C30H37N5O.C29H33N5O3.C29H35N5O2/c1-3-4-16-37-30-32-28(31)26-18-27(36)21(2)35(29(26)33-30)20-22-10-12-24(13-11-22)25-9-7-8-23(17-25)19-34-14-5-6-15-34;1-3-4-16-36-30-32-28(31)27-17-22(2)19-35(29(27)33-30)21-23-10-12-25(13-11-23)26-9-7-8-24(18-26)20-34-14-5-6-15-34;1-20-26(35)17-25-27(30)31-29(37-15-14-36-2)32-28(25)34(20)19-21-8-10-23(11-9-21)24-7-5-6-22(16-24)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/h7-13,17H,2-6,14-16,18-20H2,1H3,(H2,31,32,33);7-13,18H,2-6,14-17,19-21H2,1H3,(H2,31,32,33);5-11,16H,1,3-4,12-15,17-19H2,2H3,(H2,30,31,32);5-11,17H,1,3-4,12-16,18-20H2,2H3,(H2,30,31,32)
• InChIKey: RZWUQXNRUABVSA-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 322.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.55
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-(2-methoxyethoxy)-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 160775509) is 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1.C=C1C(=O)Cc2c(N)nc(OCCOC)nc2N1Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.C=C1Cc2c(N)nc(OCCOC)nc2N(Cc2ccc(-c3cccc(CN4CCCC4)c3)cc2)C1.

What is the InChIKey of 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 RZWUQXNRUABVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.C30H37N5O.C29H33N5O3.C29H35N5O2/c1-3-4-16-37-30-32-28(31)26-18-27(36)21(2)35(29(26)33-30)20-22-10-12-24(13-11-22)25-9-7-8-23(17-25)19-34-14-5-6-15-34;1-3-4-16-36-30-32-28(31)27-17-22(2)19-35(29(27)33-30)21-23-10-12-25(13-11-23)26-9-7-8-24(18-26)20-34-14-5-6-15-34;1-20-26(35)17-25-27(30)31-29(37-15-14-36-2)32-28(25)34(20)19-21-8-10-23(11-9-21)24-7-5-6-22(16-24)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/h7-13,17H,2-6,14-16,18-20H2,1H3,(H2,31,32,33);7-13,18H,2-6,14-17,19-21H2,1H3,(H2,31,32,33);5-11,16H,1,3-4,12-15,17-19H2,2H3,(H2,30,31,32);5-11,17H,1,3-4,12-16,18-20H2,2H3,(H2,30,31,32).

What are the key properties of 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 1966.55 g/mol, XLogP of 19.22, 36 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 160775509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).