4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C93H105Br2F3N22O9 — CID 159173942

About 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 159173942) has the molecular formula C93H105Br2F3N22O9 and a molecular weight of 1891.81 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 159173942
• Molecular Formula: C93H105Br2F3N22O9
• Molecular Weight: 1891.81 g/mol
• Exact Mass: 1888.68
• IUPAC Name: 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: CC1=NCC(C)=C1Br.CC1=NCC=C1Br.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCN(C5=C(C)CN=C5)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCN(C5=CCN=C5C)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCNC4)nn23)c(OC)c1
• InChI: InChI=1S/2C29H32FN7O3.C24H27FN6O3.C6H8BrN.C5H6BrN/c1-17-24(9-10-31-17)36-11-5-6-19(16-36)27-34-28-21-13-22(30)26(40-4)14-23(21)33-29(37(28)35-27)32-15-18-7-8-20(38-2)12-25(18)39-3;1-17-13-31-15-24(17)36-9-5-6-19(16-36)27-34-28-21-11-22(30)26(40-4)12-23(21)33-29(37(28)35-27)32-14-18-7-8-20(38-2)10-25(18)39-3;1-32-16-7-6-14(20(9-16)33-2)13-27-24-28-19-11-21(34-3)18(25)10-17(19)23-29-22(30-31(23)24)15-5-4-8-26-12-15;1-4-3-8-5(2)6(4)7;1-4-5(6)2-3-7-4/h7-9,12-14,19H,5-6,10-11,15-16H2,1-4H3,(H,32,33);7-8,10-12,15,19H,5-6,9,13-14,16H2,1-4H3,(H,32,33);6-7,9-11,15,26H,4-5,8,12-13H2,1-3H3,(H,27,28);3H2,1-2H3;2H,3H2,1H3/t2*19-;15-;;/m111../s1
• InChIKey: KMAQXXUXEMWYIP-FNTBLLORSA-N
• XLogP: 16.58
• TPSA: 316.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.81
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 159173942) is 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC1=NCC(C)=C1Br.CC1=NCC=C1Br.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCN(C5=C(C)CN=C5)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCN(C5=CCN=C5C)C4)nn23)c(OC)c1.COc1ccc(CNc2nc3cc(OC)c(F)cc3c3nc([C@@H]4CCCNC4)nn23)c(OC)c1.

What is the InChIKey of 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is KMAQXXUXEMWYIP-FNTBLLORSA-N. The full InChI is InChI=1S/2C29H32FN7O3.C24H27FN6O3.C6H8BrN.C5H6BrN/c1-17-24(9-10-31-17)36-11-5-6-19(16-36)27-34-28-21-13-22(30)26(40-4)14-23(21)33-29(37(28)35-27)32-15-18-7-8-20(38-2)12-25(18)39-3;1-17-13-31-15-24(17)36-9-5-6-19(16-36)27-34-28-21-11-22(30)26(40-4)12-23(21)33-29(37(28)35-27)32-14-18-7-8-20(38-2)10-25(18)39-3;1-32-16-7-6-14(20(9-16)33-2)13-27-24-28-19-11-21(34-3)18(25)10-17(19)23-29-22(30-31(23)24)15-5-4-8-26-12-15;1-4-3-8-5(2)6(4)7;1-4-5(6)2-3-7-4/h7-9,12-14,19H,5-6,10-11,15-16H2,1-4H3,(H,32,33);7-8,10-12,15,19H,5-6,9,13-14,16H2,1-4H3,(H,32,33);6-7,9-11,15,26H,4-5,8,12-13H2,1-3H3,(H,27,28);3H2,1-2H3;2H,3H2,1H3/t2*19-;15-;;/m111../s1.

What are the key properties of 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 1891.81 g/mol, XLogP of 16.58, 23 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3,5-dimethyl-2H-pyrrole;4-bromo-5-methyl-2H-pyrrole;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(3-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-1-(5-methyl-2H-pyrrol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-8-methoxy-2-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 159173942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).