6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C101H82BrF6N25O4S — CID 158574543

About 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 158574543) has the molecular formula C101H82BrF6N25O4S and a molecular weight of 1935.90 g/mol. Its IUPAC name is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• PubChem CID: 158574543
• Molecular Formula: C101H82BrF6N25O4S
• Molecular Weight: 1935.90 g/mol
• Exact Mass: 1933.58
• IUPAC Name: 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
• SMILES: C#Cc1cc2cnc(Nc3cccc(-c4cnco4)c3)nc2cc1OCc1cncnc1.C#Cc1ccc2nc(Nc3cc(CN4CCC(C(F)(F)F)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.c1cc(Nc2ncc3cc(-c4nccs4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1
• InChI: InChI=1S/C27H25F3N6.C25H24BrF3N6.C25H17N7O2S.C24H16N6O2/c1-3-18-4-5-25-21(10-18)14-31-26(34-25)33-24-12-19(11-20(13-24)22-15-32-35(2)17-22)16-36-8-6-23(7-9-36)27(28,29)30;1-34-15-19(13-31-34)17-8-16(14-35-6-4-20(5-7-35)25(27,28)29)9-22(11-17)32-24-30-12-18-10-21(26)2-3-23(18)33-24;1-2-16(23-13-27-15-34-23)8-18(3-1)31-25-30-11-17-9-20(24-29-6-7-35-24)22(10-21(17)32-25)33-14-19-12-26-4-5-28-19;1-2-17-6-19-11-28-24(29-20-5-3-4-18(7-20)23-12-27-15-32-23)30-21(19)8-22(17)31-13-16-9-25-14-26-10-16/h1,4-5,10-15,17,23H,6-9,16H2,2H3,(H,31,33,34);2-3,8-13,15,20H,4-7,14H2,1H3,(H,30,32,33);1-13,15H,14H2,(H,30,31,32);1,3-12,14-15H,13H2,(H,28,29,30)
• InChIKey: HSMPXDLGDSQUQR-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 328.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.90
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The IUPAC name of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 158574543) is 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

What is the SMILES notation for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The canonical SMILES for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is C#Cc1cc2cnc(Nc3cccc(-c4cnco4)c3)nc2cc1OCc1cncnc1.C#Cc1ccc2nc(Nc3cc(CN4CCC(C(F)(F)F)CC4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.c1cc(Nc2ncc3cc(-c4nccs4)c(OCc4cnccn4)cc3n2)cc(-c2cnco2)c1.

What is the InChIKey of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

The InChIKey is HSMPXDLGDSQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6.C25H24BrF3N6.C25H17N7O2S.C24H16N6O2/c1-3-18-4-5-25-21(10-18)14-31-26(34-25)33-24-12-19(11-20(13-24)22-15-32-35(2)17-22)16-36-8-6-23(7-9-36)27(28,29)30;1-34-15-19(13-31-34)17-8-16(14-35-6-4-20(5-7-35)25(27,28)29)9-22(11-17)32-24-30-12-18-10-21(26)2-3-23(18)33-24;1-2-16(23-13-27-15-34-23)8-18(3-1)31-25-30-11-17-9-20(24-29-6-7-35-24)22(10-21(17)32-25)33-14-19-12-26-4-5-28-19;1-2-17-6-19-11-28-24(29-20-5-3-4-18(7-20)23-12-27-15-32-23)30-21(19)8-22(17)31-13-16-9-25-14-26-10-16/h1,4-5,10-15,17,23H,6-9,16H2,2H3,(H,31,33,34);2-3,8-13,15,20H,4-7,14H2,1H3,(H,30,32,33);1-13,15H,14H2,(H,30,31,32);1,3-12,14-15H,13H2,(H,28,29,30).

What are the key properties of 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine?

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 1935.90 g/mol, XLogP of 21.74, 23 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 158574543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).