4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol

C128H127Cl2F4N21O8 — CID 167641975

About 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol

4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol (PubChem CID 167641975) has the molecular formula C128H127Cl2F4N21O8 and a molecular weight of 2234.46 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

• Compound Name: 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol
• PubChem CID: 167641975
• Molecular Formula: C128H127Cl2F4N21O8
• Molecular Weight: 2234.46 g/mol
• Exact Mass: 2231.95
• IUPAC Name: 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol
• SMILES: CC(C)N1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CC(C2)[C@H](O)C3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.Cc1ccc(CCOc2nc(N3CC4C[C@H](C[C@H]4O)C3)c3cnc(-c4cccc5cccc(Cl)c45)c(F)c3n2)nc1.Cn1c(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)nc2ccccc21
• InChI: InChI=1S/C34H31FN6O2.C32H29ClFN5O2.C32H35ClFN5O.C30H32FN5O3/c1-40-28-9-5-4-8-27(28)37-29(40)12-13-43-34-38-32-26(33(39-34)41-18-20-10-11-21(14-20)19-41)17-36-31(30(32)35)25-16-23(42)15-22-6-2-3-7-24(22)25;1-18-8-9-22(35-14-18)10-11-41-32-37-30-24(31(38-32)39-16-19-12-21(17-39)26(40)13-19)15-36-29(28(30)34)23-6-2-4-20-5-3-7-25(33)27(20)23;1-19(2)39-13-5-8-23(39)18-40-32-36-30-25(31(37-32)38-16-20-11-12-21(14-20)17-38)15-35-29(28(30)34)24-9-3-6-22-7-4-10-26(33)27(22)24;1-35-8-4-6-20(35)16-39-30-33-28-24(29(34-30)36-14-17-9-19(15-36)25(38)10-17)13-32-27(26(28)31)23-12-21(37)11-18-5-2-3-7-22(18)23/h2-9,15-17,20-21,42H,10-14,18-19H2,1H3;2-9,14-15,19,21,26,40H,10-13,16-17H2,1H3;3-4,6-7,9-10,15,19-21,23H,5,8,11-14,16-18H2,1-2H3;2-3,5,7,11-13,17,19-20,25,37-38H,4,6,8-10,14-16H2,1H3/t;19-,21?,26-;20?,21?,23-;17?,19?,20-,25+/m.100/s1
• InChIKey: PHEVBBFGCIHNLR-IAOJMQNCSA-N
• XLogP: 24.10
• TPSA: 322.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.46
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?

The IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol (CID 167641975) is 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol.

What is the SMILES notation for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?

The canonical SMILES for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol is CC(C)N1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CC(C2)[C@H](O)C3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.Cc1ccc(CCOc2nc(N3CC4C[C@H](C[C@H]4O)C3)c3cnc(-c4cccc5cccc(Cl)c45)c(F)c3n2)nc1.Cn1c(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)nc2ccccc21.

What is the InChIKey of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?

The InChIKey is PHEVBBFGCIHNLR-IAOJMQNCSA-N. The full InChI is InChI=1S/C34H31FN6O2.C32H29ClFN5O2.C32H35ClFN5O.C30H32FN5O3/c1-40-28-9-5-4-8-27(28)37-29(40)12-13-43-34-38-32-26(33(39-34)41-18-20-10-11-21(14-20)19-41)17-36-31(30(32)35)25-16-23(42)15-22-6-2-3-7-24(22)25;1-18-8-9-22(35-14-18)10-11-41-32-37-30-24(31(38-32)39-16-19-12-21(17-39)26(40)13-19)15-36-29(28(30)34)23-6-2-4-20-5-3-7-25(33)27(20)23;1-19(2)39-13-5-8-23(39)18-40-32-36-30-25(31(37-32)38-16-20-11-12-21(14-20)17-38)15-35-29(28(30)34)24-9-3-6-22-7-4-10-26(33)27(22)24;1-35-8-4-6-20(35)16-39-30-33-28-24(29(34-30)36-14-17-9-19(15-36)25(38)10-17)13-32-27(26(28)31)23-12-21(37)11-18-5-2-3-7-22(18)23/h2-9,15-17,20-21,42H,10-14,18-19H2,1H3;2-9,14-15,19,21,26,40H,10-13,16-17H2,1H3;3-4,6-7,9-10,15,19-21,23H,5,8,11-14,16-18H2,1-2H3;2-3,5,7,11-13,17,19-20,25,37-38H,4,6,8-10,14-16H2,1H3/t;19-,21?,26-;20?,21?,23-;17?,19?,20-,25+/m.100/s1.

What are the key properties of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?

4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 2234.46 g/mol, XLogP of 24.10, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 167641975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).