6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole

C18H26FN3O — CID 145274657

IUPAC6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole
SMILESCc1cc(OCC2CCN(C(C)[C@@H](C)F)CC2)cc2[nH]ncc12
InChIInChI=1S/C18H26FN3O/c1-12-8-16(9-18-17(12)10-20-21-18)23-11-15-4-6-22(7-5-15)14(3)13(2)19/h8-10,13-15H,4-7,11H2,1-3H3,(H,20,21)/t13-,14?/m1/s1
InChIKeyIKOZMCYJMYVZOS-KWCCSABGSA-N
MW319.42 g/mol
LogP3.71
Rot. Bonds5

About 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole

6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole (PubChem CID 145274657) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole.

Molecular Properties

Compound Name6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole
PubChem CID145274657
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole
SMILESCc1cc(OCC2CCN(C(C)[C@@H](C)F)CC2)cc2[nH]ncc12
InChIInChI=1S/C18H26FN3O/c1-12-8-16(9-18-17(12)10-20-21-18)23-11-15-4-6-22(7-5-15)14(3)13(2)19/h8-10,13-15H,4-7,11H2,1-3H3,(H,20,21)/t13-,14?/m1/s1
InChIKeyIKOZMCYJMYVZOS-KWCCSABGSA-N
XLogP3.71
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole?
The IUPAC name of 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole (CID 145274657) is 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole.
What is the SMILES notation for 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole?
The canonical SMILES for 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole is Cc1cc(OCC2CCN(C(C)[C@@H](C)F)CC2)cc2[nH]ncc12.
What is the InChIKey of 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole?
The InChIKey is IKOZMCYJMYVZOS-KWCCSABGSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12-8-16(9-18-17(12)10-20-21-18)23-11-15-4-6-22(7-5-15)14(3)13(2)19/h8-10,13-15H,4-7,11H2,1-3H3,(H,20,21)/t13-,14?/m1/s1.
What are the key properties of 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole?
6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole has a molecular weight of 319.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(3R)-3-fluorobutan-2-yl]piperidin-4-yl]methoxy]-4-methyl-1H-indazole is sourced from PubChem (CID 145274657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).