[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C23H24ClF3N4O2 — CID 134373724

IUPAC[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H24ClF3N4O2/c1-22(2,20(32)17-10-16(24)9-14-12-29-30-19(14)17)15-5-7-31(8-6-15)21(33)13-3-4-18(28-11-13)23(25,26)27/h3-4,9-12,15,20,32H,5-8H2,1-2H3,(H,29,30)
InChIKeyODLNBHXRFVXVBQ-UHFFFAOYSA-N
MW480.92 g/mol
LogP5.24
Rot. Bonds4

About [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 134373724) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID134373724
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC Name[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H24ClF3N4O2/c1-22(2,20(32)17-10-16(24)9-14-12-29-30-19(14)17)15-5-7-31(8-6-15)21(33)13-3-4-18(28-11-13)23(25,26)27/h3-4,9-12,15,20,32H,5-8H2,1-2H3,(H,29,30)
InChIKeyODLNBHXRFVXVBQ-UHFFFAOYSA-N
XLogP5.24
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.92
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 134373724) is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is CC(C)(C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is ODLNBHXRFVXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-22(2,20(32)17-10-16(24)9-14-12-29-30-19(14)17)15-5-7-31(8-6-15)21(33)13-3-4-18(28-11-13)23(25,26)27/h3-4,9-12,15,20,32H,5-8H2,1-2H3,(H,29,30).
What are the key properties of [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 480.92 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 134373724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).