N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

C62H50ClF7N12 — CID 157053794

IUPACN-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccc(F)cc23)c1C.Cc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccccc23)c1C.Cc1nc(-c2ccccc2Cl)cc(Nc2n[nH]c3ccccc23)c1C
InChIInChI=1S/C21H16F4N4.C21H17F3N4.C20H17ClN4/c1-11-12(2)26-19(14-5-3-4-6-16(14)21(23,24)25)10-18(11)27-20-15-9-13(22)7-8-17(15)28-29-20;1-12-13(2)25-19(14-7-3-5-9-16(14)21(22,23)24)11-18(12)26-20-15-8-4-6-10-17(15)27-28-20;1-12-13(2)22-19(14-7-3-5-9-16(14)21)11-18(12)23-20-15-8-4-6-10-17(15)24-25-20/h3-10H,1-2H3,(H2,26,27,28,29);3-11H,1-2H3,(H2,25,26,27,28);3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyAAMXHGIORACSHS-UHFFFAOYSA-N
MW1131.60 g/mol
LogP17.79
Rot. Bonds9

About N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 157053794) has the molecular formula C62H50ClF7N12 and a molecular weight of 1131.60 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
PubChem CID157053794
Molecular FormulaC62H50ClF7N12
Molecular Weight1131.60 g/mol
Exact Mass1130.39
IUPAC NameN-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccc(F)cc23)c1C.Cc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccccc23)c1C.Cc1nc(-c2ccccc2Cl)cc(Nc2n[nH]c3ccccc23)c1C
InChIInChI=1S/C21H16F4N4.C21H17F3N4.C20H17ClN4/c1-11-12(2)26-19(14-5-3-4-6-16(14)21(23,24)25)10-18(11)27-20-15-9-13(22)7-8-17(15)28-29-20;1-12-13(2)25-19(14-7-3-5-9-16(14)21(22,23)24)11-18(12)26-20-15-8-4-6-10-17(15)27-28-20;1-12-13(2)22-19(14-7-3-5-9-16(14)21)11-18(12)23-20-15-8-4-6-10-17(15)24-25-20/h3-10H,1-2H3,(H2,26,27,28,29);3-11H,1-2H3,(H2,25,26,27,28);3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyAAMXHGIORACSHS-UHFFFAOYSA-N
XLogP17.79
TPSA160.80 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms82
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.60
LogP ≤ 517.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (CID 157053794) is N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is Cc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccc(F)cc23)c1C.Cc1nc(-c2ccccc2C(F)(F)F)cc(Nc2n[nH]c3ccccc23)c1C.Cc1nc(-c2ccccc2Cl)cc(Nc2n[nH]c3ccccc23)c1C.
What is the InChIKey of N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is AAMXHGIORACSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4.C21H17F3N4.C20H17ClN4/c1-11-12(2)26-19(14-5-3-4-6-16(14)21(23,24)25)10-18(11)27-20-15-9-13(22)7-8-17(15)28-29-20;1-12-13(2)25-19(14-7-3-5-9-16(14)21(22,23)24)11-18(12)26-20-15-8-4-6-10-17(15)27-28-20;1-12-13(2)22-19(14-7-3-5-9-16(14)21)11-18(12)23-20-15-8-4-6-10-17(15)24-25-20/h3-10H,1-2H3,(H2,26,27,28,29);3-11H,1-2H3,(H2,25,26,27,28);3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 1131.60 g/mol, XLogP of 17.79, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-2,3-dimethyl-4-pyridinyl]-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-5-fluoro-1H-indazol-3-amine;N-[2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 157053794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).