N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine

C23H14ClF3N6 — CID 10115906

IUPACN-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H14ClF3N6/c24-14-7-8-15(17(10-14)23(25,26)27)20-11-19(13-4-3-9-28-12-13)29-22(30-20)31-21-16-5-1-2-6-18(16)32-33-21/h1-12H,(H2,29,30,31,32,33)
InChIKeySNNDHOIGRJUUNE-UHFFFAOYSA-N
MW466.85 g/mol
LogP6.50
Rot. Bonds4

About N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine

N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 10115906) has the molecular formula C23H14ClF3N6 and a molecular weight of 466.85 g/mol. Its IUPAC name is N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID10115906
Molecular FormulaC23H14ClF3N6
Molecular Weight466.85 g/mol
Exact Mass466.09
IUPAC NameN-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H14ClF3N6/c24-14-7-8-15(17(10-14)23(25,26)27)20-11-19(13-4-3-9-28-12-13)29-22(30-20)31-21-16-5-1-2-6-18(16)32-33-21/h1-12H,(H2,29,30,31,32,33)
InChIKeySNNDHOIGRJUUNE-UHFFFAOYSA-N
XLogP6.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.85
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine (CID 10115906) is N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine is FC(F)(F)c1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is SNNDHOIGRJUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N6/c24-14-7-8-15(17(10-14)23(25,26)27)20-11-19(13-4-3-9-28-12-13)29-22(30-20)31-21-16-5-1-2-6-18(16)32-33-21/h1-12H,(H2,29,30,31,32,33).
What are the key properties of N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 466.85 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10115906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).