4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol

C120H127BrF4N20O8 — CID 167685556

About 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol (PubChem CID 167685556) has the molecular formula C120H127BrF4N20O8 and a molecular weight of 2133.36 g/mol. Its IUPAC name is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol
• PubChem CID: 167685556
• Molecular Formula: C120H127BrF4N20O8
• Molecular Weight: 2133.36 g/mol
• Exact Mass: 2130.93
• IUPAC Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol
• SMILES: CN(C)C(=O)CCOc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)c(Br)c4ccccc34)cc2n1.CN1C[C@H](F)C[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.Cc1cccc2cccc(-c3ncc4c(N5CC6CCC(C6)C5)nc(OC[C@@H]5CCCN5C)nc4c3F)c12
• InChI: InChI=1S/C31H34FN5O.C30H32BrN5O2.C30H31F2N5O2.C29H30FN5O3/c1-19-6-3-7-22-8-4-10-24(26(19)22)28-27(32)29-25(15-33-28)30(37-16-20-11-12-21(14-20)17-37)35-31(34-29)38-18-23-9-5-13-36(23)2;1-35-10-4-5-20(35)17-38-30-33-26-13-25(23-12-27(37)28(31)22-7-3-2-6-21(22)23)32-14-24(26)29(34-30)36-15-18-8-9-19(11-18)16-36;1-36-15-20(31)10-21(36)16-39-30-34-28-25(29(35-30)37-13-17-6-7-18(8-17)14-37)12-33-27(26(28)32)24-11-22(38)9-19-4-2-3-5-23(19)24;1-34(2)24(37)9-10-38-29-32-27-23(28(33-29)35-15-17-7-8-18(11-17)16-35)14-31-26(25(27)30)22-13-20(36)12-19-5-3-4-6-21(19)22/h3-4,6-8,10,15,20-21,23H,5,9,11-14,16-18H2,1-2H3;2-3,6-7,12-14,18-20,37H,4-5,8-11,15-17H2,1H3;2-5,9,11-12,17-18,20-21,38H,6-8,10,13-16H2,1H3;3-6,12-14,17-18,36H,7-11,15-16H2,1-2H3/t20?,21?,23-;18?,19?,20-;17?,18?,20-,21+;/m001./s1
• InChIKey: WDUVCFZEVDWPGU-BJIWDYMISA-N
• XLogP: 22.15
• TPSA: 295.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.36
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol?

The IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol (CID 167685556) is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol.

What is the SMILES notation for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol?

The canonical SMILES for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol is CN(C)C(=O)CCOc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)c(Br)c4ccccc34)cc2n1.CN1C[C@H](F)C[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.Cc1cccc2cccc(-c3ncc4c(N5CC6CCC(C6)C5)nc(OC[C@@H]5CCCN5C)nc4c3F)c12.

What is the InChIKey of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol?

The InChIKey is WDUVCFZEVDWPGU-BJIWDYMISA-N. The full InChI is InChI=1S/C31H34FN5O.C30H32BrN5O2.C30H31F2N5O2.C29H30FN5O3/c1-19-6-3-7-22-8-4-10-24(26(19)22)28-27(32)29-25(15-33-28)30(37-16-20-11-12-21(14-20)17-37)35-31(34-29)38-18-23-9-5-13-36(23)2;1-35-10-4-5-20(35)17-38-30-33-26-13-25(23-12-27(37)28(31)22-7-3-2-6-21(22)23)32-14-24(26)29(34-30)36-15-18-8-9-19(11-18)16-36;1-36-15-20(31)10-21(36)16-39-30-34-28-25(29(35-30)37-13-17-6-7-18(8-17)14-37)12-33-27(26(28)32)24-11-22(38)9-19-4-2-3-5-23(19)24;1-34(2)24(37)9-10-38-29-32-27-23(28(33-29)35-15-17-7-8-18(11-17)16-35)14-31-26(25(27)30)22-13-20(36)12-19-5-3-4-6-21(19)22/h3-4,6-8,10,15,20-21,23H,5,9,11-14,16-18H2,1-2H3;2-3,6-7,12-14,18-20,37H,4-5,8-11,15-17H2,1H3;2-5,9,11-12,17-18,20-21,38H,6-8,10,13-16H2,1H3;3-6,12-14,17-18,36H,7-11,15-16H2,1-2H3/t20?,21?,23-;18?,19?,20-;17?,18?,20-,21+;/m001./s1.

What are the key properties of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol?

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol has a molecular weight of 2133.36 g/mol, XLogP of 22.15, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxy-N,N-dimethylpropanamide;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-1-bromonaphthalen-2-ol is sourced from PubChem (CID 167685556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).