[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone

C23H25ClFN3O2 — CID 134373271

IUPAC[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H25ClFN3O2/c1-23(2,21(29)18-19(25)17(24)12-15-13-26-27-20(15)18)16-8-10-28(11-9-16)22(30)14-6-4-3-5-7-14/h3-7,12-13,16,21,29H,8-11H2,1-2H3,(H,26,27)
InChIKeyLVJJQABKUDFJFQ-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.97
Rot. Bonds4

About [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone

[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 134373271) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID134373271
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H25ClFN3O2/c1-23(2,21(29)18-19(25)17(24)12-15-13-26-27-20(15)18)16-8-10-28(11-9-16)22(30)14-6-4-3-5-7-14/h3-7,12-13,16,21,29H,8-11H2,1-2H3,(H,26,27)
InChIKeyLVJJQABKUDFJFQ-UHFFFAOYSA-N
XLogP4.97
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone (CID 134373271) is [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone is CC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.
What is the InChIKey of [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is LVJJQABKUDFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-23(2,21(29)18-19(25)17(24)12-15-13-26-27-20(15)18)16-8-10-28(11-9-16)22(30)14-6-4-3-5-7-14/h3-7,12-13,16,21,29H,8-11H2,1-2H3,(H,26,27).
What are the key properties of [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone?
[4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 429.92 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 134373271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).