1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole

C19H22N4O — CID 163230731

IUPAC1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole
SMILESCn1ncc2ccc(COc3cccc(C4CCNCC4)n3)cc21
InChIInChI=1S/C19H22N4O/c1-23-18-11-14(5-6-16(18)12-21-23)13-24-19-4-2-3-17(22-19)15-7-9-20-10-8-15/h2-6,11-12,15,20H,7-10,13H2,1H3
InChIKeyZYCQDROTLNCWBA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds4

About 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole

1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole (PubChem CID 163230731) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole.

Molecular Properties

Compound Name1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole
PubChem CID163230731
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole
SMILESCn1ncc2ccc(COc3cccc(C4CCNCC4)n3)cc21
InChIInChI=1S/C19H22N4O/c1-23-18-11-14(5-6-16(18)12-21-23)13-24-19-4-2-3-17(22-19)15-7-9-20-10-8-15/h2-6,11-12,15,20H,7-10,13H2,1H3
InChIKeyZYCQDROTLNCWBA-UHFFFAOYSA-N
XLogP3.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole?
The IUPAC name of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole (CID 163230731) is 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole.
What is the SMILES notation for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole?
The canonical SMILES for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole is Cn1ncc2ccc(COc3cccc(C4CCNCC4)n3)cc21.
What is the InChIKey of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole?
The InChIKey is ZYCQDROTLNCWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23-18-11-14(5-6-16(18)12-21-23)13-24-19-4-2-3-17(22-19)15-7-9-20-10-8-15/h2-6,11-12,15,20H,7-10,13H2,1H3.
What are the key properties of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole?
1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole has a molecular weight of 322.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole is sourced from PubChem (CID 163230731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).