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

C20H25ClFN3O2 — CID 134373546

IUPAC[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C1CCN(C(=O)C2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H25ClFN3O2/c1-20(2,13-5-7-25(8-6-13)19(27)11-3-4-11)18(26)15-16(22)14(21)9-12-10-23-24-17(12)15/h9-11,13,18,26H,3-8H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyFMVSTMNBXPYXGK-GOSISDBHSA-N
MW393.89 g/mol
LogP4.06
Rot. Bonds4

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

[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 134373546) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID134373546
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C1CCN(C(=O)C2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H25ClFN3O2/c1-20(2,13-5-7-25(8-6-13)19(27)11-3-4-11)18(26)15-16(22)14(21)9-12-10-23-24-17(12)15/h9-11,13,18,26H,3-8H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyFMVSTMNBXPYXGK-GOSISDBHSA-N
XLogP4.06
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone (CID 134373546) is [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C1CCN(C(=O)C2CC2)CC1)[C@H](O)c1c(F)c(Cl)cc2cn[nH]c12.
What is the InChIKey of [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is FMVSTMNBXPYXGK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-20(2,13-5-7-25(8-6-13)19(27)11-3-4-11)18(26)15-16(22)14(21)9-12-10-23-24-17(12)15/h9-11,13,18,26H,3-8H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone?
[4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 393.89 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 134373546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).