2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine

C22H12ClF4N5 — CID 59085496

IUPAC2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4c(Cl)cccc4C(F)(F)F)nc4ccccc34)c2c1
InChIInChI=1S/C22H12ClF4N5/c23-15-6-3-5-14(22(25,26)27)18(15)21-28-16-7-2-1-4-12(16)19(30-21)29-20-13-10-11(24)8-9-17(13)31-32-20/h1-10H,(H2,28,29,30,31,32)
InChIKeyGGDZYAUIAWYKGB-UHFFFAOYSA-N
MW457.82 g/mol
LogP6.73
Rot. Bonds3

About 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine

2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (PubChem CID 59085496) has the molecular formula C22H12ClF4N5 and a molecular weight of 457.82 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
PubChem CID59085496
Molecular FormulaC22H12ClF4N5
Molecular Weight457.82 g/mol
Exact Mass457.07
IUPAC Name2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4c(Cl)cccc4C(F)(F)F)nc4ccccc34)c2c1
InChIInChI=1S/C22H12ClF4N5/c23-15-6-3-5-14(22(25,26)27)18(15)21-28-16-7-2-1-4-12(16)19(30-21)29-20-13-10-11(24)8-9-17(13)31-32-20/h1-10H,(H2,28,29,30,31,32)
InChIKeyGGDZYAUIAWYKGB-UHFFFAOYSA-N
XLogP6.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.82
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine
CID 10272020
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 10270349
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 20626456
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 59085501
N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 142128261
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 158464061
2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]-N,N-dimethylbenzenesulfonamide;N-[5-methyl-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158991819
N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10224094
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
CID 87388058

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (CID 59085496) is 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is Fc1ccc2[nH]nc(Nc3nc(-c4c(Cl)cccc4C(F)(F)F)nc4ccccc34)c2c1.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The InChIKey is GGDZYAUIAWYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF4N5/c23-15-6-3-5-14(22(25,26)27)18(15)21-28-16-7-2-1-4-12(16)19(30-21)29-20-13-10-11(24)8-9-17(13)31-32-20/h1-10H,(H2,28,29,30,31,32).
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine has a molecular weight of 457.82 g/mol, XLogP of 6.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 59085496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).