1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one

C19H23ClF3N3O2 — CID 134373235

IUPAC1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCC(C)(C1CCN(C(=O)CC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C19H23ClF3N3O2/c1-18(2,12-3-5-26(6-4-12)15(27)9-19(21,22)23)17(28)14-8-13(20)7-11-10-24-25-16(11)14/h7-8,10,12,17,28H,3-6,9H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyNNJAGBMVSAFORE-QGZVFWFLSA-N
MW417.86 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 134373235) has the molecular formula C19H23ClF3N3O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID134373235
Molecular FormulaC19H23ClF3N3O2
Molecular Weight417.86 g/mol
Exact Mass417.14
IUPAC Name1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCC(C)(C1CCN(C(=O)CC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C19H23ClF3N3O2/c1-18(2,12-3-5-26(6-4-12)15(27)9-19(21,22)23)17(28)14-8-13(20)7-11-10-24-25-16(11)14/h7-8,10,12,17,28H,3-6,9H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyNNJAGBMVSAFORE-QGZVFWFLSA-N
XLogP4.47
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 134373235) is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one is CC(C)(C1CCN(C(=O)CC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is NNJAGBMVSAFORE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23ClF3N3O2/c1-18(2,12-3-5-26(6-4-12)15(27)9-19(21,22)23)17(28)14-8-13(20)7-11-10-24-25-16(11)14/h7-8,10,12,17,28H,3-6,9H2,1-2H3,(H,24,25)/t17-/m1/s1.
What are the key properties of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 417.86 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 134373235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).