[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone

C20H25ClFN3O2 — CID 134373571

IUPAC[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone
SMILESCC(C)(C1CCN(C(=O)C2(F)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H25ClFN3O2/c1-19(2,13-3-7-25(8-4-13)18(27)20(22)5-6-20)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,3-8H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJCHFDTDVGXKHQY-QGZVFWFLSA-N
MW393.89 g/mol
LogP4.02
Rot. Bonds4

About [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone

[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 134373571) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone
PubChem CID134373571
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone
SMILESCC(C)(C1CCN(C(=O)C2(F)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C20H25ClFN3O2/c1-19(2,13-3-7-25(8-4-13)18(27)20(22)5-6-20)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,3-8H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJCHFDTDVGXKHQY-QGZVFWFLSA-N
XLogP4.02
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 ≤ 54.02
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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone (CID 134373571) is [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone is CC(C)(C1CCN(C(=O)C2(F)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is JCHFDTDVGXKHQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-19(2,13-3-7-25(8-4-13)18(27)20(22)5-6-20)17(26)15-10-14(21)9-12-11-23-24-16(12)15/h9-11,13,17,26H,3-8H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone?
[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 393.89 g/mol, XLogP of 4.02, 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-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 134373571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).