N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

C24H22F3N5 — CID 10181551

IUPACN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(C2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)18-12-6-4-10-16(18)21-14-20(15-8-2-1-3-9-15)28-23(29-21)30-22-17-11-5-7-13-19(17)31-32-22/h4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32)
InChIKeyJWCJLPAQCNHBFE-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.83
Rot. Bonds4

About N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 10181551) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID10181551
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(C2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)18-12-6-4-10-16(18)21-14-20(15-8-2-1-3-9-15)28-23(29-21)30-22-17-11-5-7-13-19(17)31-32-22/h4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32)
InChIKeyJWCJLPAQCNHBFE-UHFFFAOYSA-N
XLogP6.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
CID 158208179
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
CID 142127893
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
CID 161053692
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10224094
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10295010
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
CID 10158765
N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10159166

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (CID 10181551) is N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1cc(C2CCCCC2)nc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is JWCJLPAQCNHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c25-24(26,27)18-12-6-4-10-16(18)21-14-20(15-8-2-1-3-9-15)28-23(29-21)30-22-17-11-5-7-13-19(17)31-32-22/h4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32).
What are the key properties of N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 437.47 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10181551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).