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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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).