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

C89H51Br2ClF16N20 — CID 157459013

IUPACN-(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
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Br)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Cl)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccc(Br)cc23)c2ccccc2n1.Fc1c(C(F)(F)F)ccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c12
InChIInChI=1S/C23H12F7N5.2C22H13BrF3N5.C22H13ClF3N5/c24-17-15(23(28,29)30)10-9-13-18(17)34-35-21(13)33-20-12-6-2-4-8-16(12)31-19(32-20)11-5-1-3-7-14(11)22(25,26)27;23-12-9-10-18-15(11-12)21(31-30-18)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26;2*23-12-9-10-15-18(11-12)30-31-21(15)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26/h1-10H,(H2,31,32,33,34,35);3*1-11H,(H2,27,28,29,30,31)
InChIKeyBTRXBSAPVVUMCF-UHFFFAOYSA-N
MW1899.76 g/mol
LogP27.08
Rot. Bonds12

About 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

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 (PubChem CID 157459013) has the molecular formula C89H51Br2ClF16N20 and a molecular weight of 1899.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157459013
Molecular FormulaC89H51Br2ClF16N20
Molecular Weight1899.76 g/mol
Exact Mass1896.24
IUPAC NameN-(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
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Br)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Cl)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccc(Br)cc23)c2ccccc2n1.Fc1c(C(F)(F)F)ccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c12
InChIInChI=1S/C23H12F7N5.2C22H13BrF3N5.C22H13ClF3N5/c24-17-15(23(28,29)30)10-9-13-18(17)34-35-21(13)33-20-12-6-2-4-8-16(12)31-19(32-20)11-5-1-3-7-14(11)22(25,26)27;23-12-9-10-18-15(11-12)21(31-30-18)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26;2*23-12-9-10-15-18(11-12)30-31-21(15)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26/h1-10H,(H2,31,32,33,34,35);3*1-11H,(H2,27,28,29,30,31)
InChIKeyBTRXBSAPVVUMCF-UHFFFAOYSA-N
XLogP27.08
TPSA265.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.76
LogP ≤ 527.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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-[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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Br)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cc(Cl)ccc23)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccc(Br)cc23)c2ccccc2n1.Fc1c(C(F)(F)F)ccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c12.
What is the InChIKey of 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?
The InChIKey is BTRXBSAPVVUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F7N5.2C22H13BrF3N5.C22H13ClF3N5/c24-17-15(23(28,29)30)10-9-13-18(17)34-35-21(13)33-20-12-6-2-4-8-16(12)31-19(32-20)11-5-1-3-7-14(11)22(25,26)27;23-12-9-10-18-15(11-12)21(31-30-18)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26;2*23-12-9-10-15-18(11-12)30-31-21(15)29-20-14-6-2-4-8-17(14)27-19(28-20)13-5-1-3-7-16(13)22(24,25)26/h1-10H,(H2,31,32,33,34,35);3*1-11H,(H2,27,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 1899.76 g/mol, XLogP of 27.08, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157459013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).