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

C147H195N33O9 — CID 159480697

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

4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159480697) has the molecular formula C147H195N33O9 and a molecular weight of 2568.40 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159480697
• Molecular Formula: C147H195N33O9
• Molecular Weight: 2568.40 g/mol
• Exact Mass: 2566.58
• IUPAC Name: 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1ccc(CN2CCCC2)cc1.C=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1cccc(CN2CCCC2)c1.C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCN(C)CC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNc3ccccn3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)C(=O)C2
• InChI: InChI=1S/C25H34N6O.C25H36N6O.C25H30N6O.C24H31N5O2.C24H33N5O2.C24H31N5O2/c1-4-10-29(3)25(32)23-27-22(26)21-13-18(2)15-31(24(21)28-23)17-20-9-7-8-19(14-20)16-30-11-5-6-12-30;1-4-5-13-32-25-27-23(26)22-14-19(2)16-31(24(22)28-25)18-21-8-6-7-20(15-21)17-30-11-9-29(3)10-12-30;1-3-4-12-32-25-29-23(26)21-13-18(2)16-31(24(21)30-25)17-20-9-7-8-19(14-20)15-28-22-10-5-6-11-27-22;1-3-4-13-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-18(8-10-19)15-28-11-5-6-12-28;2*1-3-4-12-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-8-18(13-19)15-28-10-5-6-11-28/h7-9,14H,2,4-6,10-13,15-17H2,1,3H3,(H2,26,27,28);6-8,15H,2,4-5,9-14,16-18H2,1,3H3,(H2,26,27,28);5-11,14H,2-4,12-13,15-17H2,1H3,(H,27,28)(H2,26,29,30);7-10H,2-6,11-16H2,1H3,(H2,25,26,27);7-9,13,17H,3-6,10-12,14-16H2,1-2H3,(H2,25,26,27);7-9,13H,2-6,10-12,14-16H2,1H3,(H2,25,26,27)
• InChIKey: LWYTWSUFBWWFGS-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 492.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 48
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.40
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

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

The IUPAC name of 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159480697) is 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1ccc(CN2CCCC2)cc1.C=C1C(=O)Cc2c(N)nc(OCCCC)nc2N1Cc1cccc(CN2CCCC2)c1.C=C1Cc2c(N)nc(C(=O)N(C)CCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCN(C)CC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNc3ccccn3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)C(=O)C2.

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

The InChIKey is LWYTWSUFBWWFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C25H36N6O.C25H30N6O.C24H31N5O2.C24H33N5O2.C24H31N5O2/c1-4-10-29(3)25(32)23-27-22(26)21-13-18(2)15-31(24(21)28-23)17-20-9-7-8-19(14-20)16-30-11-5-6-12-30;1-4-5-13-32-25-27-23(26)22-14-19(2)16-31(24(22)28-25)18-21-8-6-7-20(15-21)17-30-11-9-29(3)10-12-30;1-3-4-12-32-25-29-23(26)21-13-18(2)16-31(24(21)30-25)17-20-9-7-8-19(14-20)15-28-22-10-5-6-11-27-22;1-3-4-13-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-18(8-10-19)15-28-11-5-6-12-28;2*1-3-4-12-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-8-18(13-19)15-28-10-5-6-11-28/h7-9,14H,2,4-6,10-13,15-17H2,1,3H3,(H2,26,27,28);6-8,15H,2,4-5,9-14,16-18H2,1,3H3,(H2,26,27,28);5-11,14H,2-4,12-13,15-17H2,1H3,(H,27,28)(H2,26,29,30);7-10H,2-6,11-16H2,1H3,(H2,25,26,27);7-9,13,17H,3-6,10-12,14-16H2,1-2H3,(H2,25,26,27);7-9,13H,2-6,10-12,14-16H2,1H3,(H2,25,26,27).

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

4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2568.40 g/mol, XLogP of 21.03, 48 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-7-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-N-methyl-6-methylidene-N-propyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2-carboxamide;2-butoxy-6-methylidene-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159480697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).