N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C24H23F3N6O — CID 155924243

IUPACN-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)16-4-3-5-18(14-16)34-22-8-11-28-23(30-22)29-17-9-12-33(13-10-17)15-21-19-6-1-2-7-20(19)31-32-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,31,32)(H,28,29,30)
InChIKeyOOMOKGZUGYBPLM-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.24
Rot. Bonds6

About N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine

N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 155924243) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID155924243
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC NameN-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)16-4-3-5-18(14-16)34-22-8-11-28-23(30-22)29-17-9-12-33(13-10-17)15-21-19-6-1-2-7-20(19)31-32-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,31,32)(H,28,29,30)
InChIKeyOOMOKGZUGYBPLM-UHFFFAOYSA-N
XLogP5.24
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 155924243) is N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine is FC(F)(F)c1cccc(Oc2ccnc(NC3CCN(Cc4[nH]nc5ccccc45)CC3)n2)c1.
What is the InChIKey of N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is OOMOKGZUGYBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c25-24(26,27)16-4-3-5-18(14-16)34-22-8-11-28-23(30-22)29-17-9-12-33(13-10-17)15-21-19-6-1-2-7-20(19)31-32-21/h1-8,11,14,17H,9-10,12-13,15H2,(H,31,32)(H,28,29,30).
What are the key properties of N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 468.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 155924243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).