2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)

C88H45BrF22N20 — CID 159523220

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)
SMILESFc1cc(F)c2[nH]nc(Nc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc4ccccc34)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4Br)nc4ccccc34)c2c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H11F8N5.2C22H11F6N5.C21H12BrF2N5/c24-11-8-14-18(16(25)9-11)35-36-21(14)34-20-13-3-1-2-4-17(13)32-19(33-20)12-6-5-10(22(26,27)28)7-15(12)23(29,30)31;2*23-10-5-6-12(15(8-10)22(26,27)28)19-29-17-4-2-1-3-13(17)20(30-19)31-21-14-7-11(24)9-16(25)18(14)32-33-21;22-15-7-3-1-5-12(15)19-25-17-8-4-2-6-13(17)20(26-19)27-21-14-9-11(23)10-16(24)18(14)28-29-21/h1-9H,(H2,32,33,34,35,36);2*1-9H,(H2,29,30,31,32,33);1-10H,(H2,25,26,27,28,29)
InChIKeyMCBKTKUWVIRZEC-UHFFFAOYSA-N
MW1880.33 g/mol
LogP25.90
Rot. Bonds12

About 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)

2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) (PubChem CID 159523220) has the molecular formula C88H45BrF22N20 and a molecular weight of 1880.33 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine).

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)
PubChem CID159523220
Molecular FormulaC88H45BrF22N20
Molecular Weight1880.33 g/mol
Exact Mass1878.30
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)
SMILESFc1cc(F)c2[nH]nc(Nc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc4ccccc34)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4Br)nc4ccccc34)c2c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C23H11F8N5.2C22H11F6N5.C21H12BrF2N5/c24-11-8-14-18(16(25)9-11)35-36-21(14)34-20-13-3-1-2-4-17(13)32-19(33-20)12-6-5-10(22(26,27)28)7-15(12)23(29,30)31;2*23-10-5-6-12(15(8-10)22(26,27)28)19-29-17-4-2-1-3-13(17)20(30-19)31-21-14-7-11(24)9-16(25)18(14)32-33-21;22-15-7-3-1-5-12(15)19-25-17-8-4-2-6-13(17)20(26-19)27-21-14-9-11(23)10-16(24)18(14)28-29-21/h1-9H,(H2,32,33,34,35,36);2*1-9H,(H2,29,30,31,32,33);1-10H,(H2,25,26,27,28,29)
InChIKeyMCBKTKUWVIRZEC-UHFFFAOYSA-N
XLogP25.90
TPSA265.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.33
LogP ≤ 525.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) with MolForge

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Related Compounds

N-(5-bromo-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(6-bromo-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(6-chloro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 157459013
3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157482676
N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158349149
N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine
CID 158746811
N-(5,7-difluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-phenylquinazolin-4-amine;N-(1H-indazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;2-phenyl-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
CID 159196956
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5,7-difluoro-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-7-fluoro-1H-indazol-3-amine
CID 159302931
6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 159786775
7-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 160085029
2-(2,6-dichlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-methyl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 160735788
bis(4-tert-butyl-2-(2,4-difluorophenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine);2-(4-tert-butylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)quinazoline;2-(4-tert-butylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)-4-(5-methyl-1H-pyrazol-3-yl)quinazoline;2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 161759398
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]benzonitrile
CID 161769963
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 161785705

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) (CID 159523220) is 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine).
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) is Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc4ccccc34)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4Br)nc4ccccc34)c2c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)?
The InChIKey is MCBKTKUWVIRZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11F8N5.2C22H11F6N5.C21H12BrF2N5/c24-11-8-14-18(16(25)9-11)35-36-21(14)34-20-13-3-1-2-4-17(13)32-19(33-20)12-6-5-10(22(26,27)28)7-15(12)23(29,30)31;2*23-10-5-6-12(15(8-10)22(26,27)28)19-29-17-4-2-1-3-13(17)20(30-19)31-21-14-7-11(24)9-16(25)18(14)32-33-21;22-15-7-3-1-5-12(15)19-25-17-8-4-2-6-13(17)20(26-19)27-21-14-9-11(23)10-16(24)18(14)28-29-21/h1-9H,(H2,32,33,34,35,36);2*1-9H,(H2,29,30,31,32,33);1-10H,(H2,25,26,27,28,29).
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine)?
2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) has a molecular weight of 1880.33 g/mol, XLogP of 25.90, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-bromophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;bis(N-(5,7-difluoro-1H-indazol-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-amine) is sourced from PubChem (CID 159523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).