1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole

C18H21N3O — CID 57395334

IUPAC1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole
SMILESCn1nc(-c2ccc(CN3CCCCC3)o2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)18(19-20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyVRXBEJRRENXZPI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.82
Rot. Bonds3

About 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole

1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole (PubChem CID 57395334) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole.

Molecular Properties

Compound Name1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole
PubChem CID57395334
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole
SMILESCn1nc(-c2ccc(CN3CCCCC3)o2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)18(19-20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyVRXBEJRRENXZPI-UHFFFAOYSA-N
XLogP3.82
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole?
The IUPAC name of 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole (CID 57395334) is 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole.
What is the SMILES notation for 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole?
The canonical SMILES for 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole is Cn1nc(-c2ccc(CN3CCCCC3)o2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole?
The InChIKey is VRXBEJRRENXZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)18(19-20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3.
What are the key properties of 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole?
1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole has a molecular weight of 295.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(piperidin-1-ylmethyl)furan-2-yl]indazole is sourced from PubChem (CID 57395334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).