1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one

C19H26ClN3O2 — CID 134373837

IUPAC1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H26ClN3O2/c1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h9-11,13,18,25H,4-8H2,1-3H3,(H,21,22)
InChIKeyHNRPEYIFWLZJBM-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.92
Rot. Bonds4

About 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one

1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 134373837) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
PubChem CID134373837
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H26ClN3O2/c1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h9-11,13,18,25H,4-8H2,1-3H3,(H,21,22)
InChIKeyHNRPEYIFWLZJBM-UHFFFAOYSA-N
XLogP3.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one (CID 134373837) is 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HNRPEYIFWLZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h9-11,13,18,25H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 363.89 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 134373837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).