1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile

C20H21N5O — CID 175710390

IUPAC1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile
SMILESCn1nc(C#N)c2ccc(COc3cccc(C4CCNCC4)n3)cc21
InChIInChI=1S/C20H21N5O/c1-25-19-11-14(5-6-16(19)18(12-21)24-25)13-26-20-4-2-3-17(23-20)15-7-9-22-10-8-15/h2-6,11,15,22H,7-10,13H2,1H3
InChIKeyBCYCCGKVFMFMHH-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.89
Rot. Bonds4

About 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile

1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile (PubChem CID 175710390) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile
PubChem CID175710390
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile
SMILESCn1nc(C#N)c2ccc(COc3cccc(C4CCNCC4)n3)cc21
InChIInChI=1S/C20H21N5O/c1-25-19-11-14(5-6-16(19)18(12-21)24-25)13-26-20-4-2-3-17(23-20)15-7-9-22-10-8-15/h2-6,11,15,22H,7-10,13H2,1H3
InChIKeyBCYCCGKVFMFMHH-UHFFFAOYSA-N
XLogP2.89
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole
CID 163230731
6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 175576427
2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
CID 170199883
6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
CID 163230634
N,N-dimethyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175451125
7-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1-benzothiophene-4-carbonitrile
CID 162352251
N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175721595
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
7-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 175587743
ethane;4-[(1-piperidin-4-ylpyrazol-3-yl)oxymethyl]benzonitrile
CID 164914819
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520
2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine
CID 163230836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile?
The IUPAC name of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile (CID 175710390) is 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile.
What is the SMILES notation for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile?
The canonical SMILES for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile is Cn1nc(C#N)c2ccc(COc3cccc(C4CCNCC4)n3)cc21.
What is the InChIKey of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile?
The InChIKey is BCYCCGKVFMFMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25-19-11-14(5-6-16(19)18(12-21)24-25)13-26-20-4-2-3-17(23-20)15-7-9-22-10-8-15/h2-6,11,15,22H,7-10,13H2,1H3.
What are the key properties of 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile?
1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole-3-carbonitrile is sourced from PubChem (CID 175710390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).