N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

C21H14F3N7 — CID 10159166

IUPACN-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)ncc1-c1ncc[nH]1
InChIInChI=1S/C21H14F3N7/c22-21(23,24)15-7-3-1-5-12(15)17-14(18-25-9-10-26-18)11-27-20(28-17)29-19-13-6-2-4-8-16(13)30-31-19/h1-11H,(H,25,26)(H2,27,28,29,30,31)
InChIKeyTUAWXTTVRWAPDA-UHFFFAOYSA-N
MW421.39 g/mol
LogP5.17
Rot. Bonds4

About N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 10159166) has the molecular formula C21H14F3N7 and a molecular weight of 421.39 g/mol. Its IUPAC name is N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID10159166
Molecular FormulaC21H14F3N7
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC NameN-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)ncc1-c1ncc[nH]1
InChIInChI=1S/C21H14F3N7/c22-21(23,24)15-7-3-1-5-12(15)17-14(18-25-9-10-26-18)11-27-20(28-17)29-19-13-6-2-4-8-16(13)30-31-19/h1-11H,(H,25,26)(H2,27,28,29,30,31)
InChIKeyTUAWXTTVRWAPDA-UHFFFAOYSA-N
XLogP5.17
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.39
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
CID 10158765
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
CID 158208179
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10181551
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
CID 70028778
N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
CID 142127893
[3-[2-(trifluoromethyl)phenyl]pyrazin-2-yl]hydrazine
CID 112559499
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626308
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (CID 10159166) is N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)ncc1-c1ncc[nH]1.
What is the InChIKey of N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is TUAWXTTVRWAPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7/c22-21(23,24)15-7-3-1-5-12(15)17-14(18-25-9-10-26-18)11-27-20(28-17)29-19-13-6-2-4-8-16(13)30-31-19/h1-11H,(H,25,26)(H2,27,28,29,30,31).
What are the key properties of N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 421.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10159166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).