4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C123H160N24O11 — CID 158934586

About 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 158934586) has the molecular formula C123H160N24O11 and a molecular weight of 2150.79 g/mol. Its IUPAC name is 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 158934586
• Molecular Formula: C123H160N24O11
• Molecular Weight: 2150.79 g/mol
• Exact Mass: 2149.27
• IUPAC Name: 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N1C2CCC1CN(c1nc(OC(C)CC)nc3c1CCN(c1cc(O)cc4ccccc14)C3)C2.C=CC(=O)N1CC2CCC(C1)N2c1nc(OC(C)CC)nc2c1CCN(c1cc(O)cc3ccccc13)C2.Cc1ccc2[nH]ncc2c1N1CCc2c(N)nc(OCCCN3CCCCC3)nc2C1.Cc1ccc2c(N3CCc4c(N)nc(OCCCN5CCCCC5)nc4C3)cc(O)cc2c1
• InChI: InChI=1S/2C30H35N5O3.C26H33N5O2.C23H31N7O.2C7H13NO/c1-4-19(3)38-30-31-26-18-33(27-15-23(36)14-20-8-6-7-9-24(20)27)13-12-25(26)29(32-30)34-16-21-10-11-22(17-34)35(21)28(37)5-2;1-4-19(3)38-30-31-26-18-33(27-15-23(36)14-20-8-6-7-9-24(20)27)13-12-25(26)29(32-30)35-21-10-11-22(35)17-34(16-21)28(37)5-2;1-18-6-7-21-19(14-18)15-20(32)16-24(21)31-12-8-22-23(17-31)28-26(29-25(22)27)33-13-5-11-30-9-3-2-4-10-30;1-16-6-7-19-18(14-25-28-19)21(16)30-12-8-17-20(15-30)26-23(27-22(17)24)31-13-5-11-29-9-3-2-4-10-29;2*1-4-7(9)8(5-2)6-3/h2*5-9,14-15,19,21-22,36H,2,4,10-13,16-18H2,1,3H3;6-7,14-16,32H,2-5,8-13,17H2,1H3,(H2,27,28,29);6-7,14H,2-5,8-13,15H2,1H3,(H,25,28)(H2,24,26,27);2*4H,1,5-6H2,2-3H3
• InChIKey: JJMJBLQQRHHWTR-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 388.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2150.79
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 158934586) is 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N1C2CCC1CN(c1nc(OC(C)CC)nc3c1CCN(c1cc(O)cc4ccccc14)C3)C2.C=CC(=O)N1CC2CCC(C1)N2c1nc(OC(C)CC)nc2c1CCN(c1cc(O)cc3ccccc13)C2.Cc1ccc2[nH]ncc2c1N1CCc2c(N)nc(OCCCN3CCCCC3)nc2C1.Cc1ccc2c(N3CCc4c(N)nc(OCCCN5CCCCC5)nc4C3)cc(O)cc2c1.

What is the InChIKey of 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is JJMJBLQQRHHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H35N5O3.C26H33N5O2.C23H31N7O.2C7H13NO/c1-4-19(3)38-30-31-26-18-33(27-15-23(36)14-20-8-6-7-9-24(20)27)13-12-25(26)29(32-30)34-16-21-10-11-22(17-34)35(21)28(37)5-2;1-4-19(3)38-30-31-26-18-33(27-15-23(36)14-20-8-6-7-9-24(20)27)13-12-25(26)29(32-30)35-21-10-11-22(35)17-34(16-21)28(37)5-2;1-18-6-7-21-19(14-18)15-20(32)16-24(21)31-12-8-22-23(17-31)28-26(29-25(22)27)33-13-5-11-30-9-3-2-4-10-30;1-16-6-7-19-18(14-25-28-19)21(16)30-12-8-17-20(15-30)26-23(27-22(17)24)31-13-5-11-29-9-3-2-4-10-29;2*1-4-7(9)8(5-2)6-3/h2*5-9,14-15,19,21-22,36H,2,4,10-13,16-18H2,1,3H3;6-7,14-16,32H,2-5,8-13,17H2,1H3,(H2,27,28,29);6-7,14H,2-5,8-13,15H2,1H3,(H,25,28)(H2,24,26,27);2*4H,1,5-6H2,2-3H3.

What are the key properties of 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2150.79 g/mol, XLogP of 18.07, 30 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-7-methylnaphthalen-2-ol;1-[3-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[8-[2-butan-2-yloxy-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]prop-2-en-1-one;bis(N,N-diethylprop-2-enamide);7-(5-methyl-1H-indazol-4-yl)-2-(3-piperidin-1-ylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158934586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).