4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole

C20H24N4O — CID 145274740

IUPAC4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole
SMILESCc1cc(OCC2CCN(Cc3ccccn3)CC2)cc2[nH]ncc12
InChIInChI=1S/C20H24N4O/c1-15-10-18(11-20-19(15)12-22-23-20)25-14-16-5-8-24(9-6-16)13-17-4-2-3-7-21-17/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3,(H,22,23)
InChIKeyGWENLFRCEOITRS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.56
Rot. Bonds5

About 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole

4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole (PubChem CID 145274740) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole.

Molecular Properties

Compound Name4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole
PubChem CID145274740
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole
SMILESCc1cc(OCC2CCN(Cc3ccccn3)CC2)cc2[nH]ncc12
InChIInChI=1S/C20H24N4O/c1-15-10-18(11-20-19(15)12-22-23-20)25-14-16-5-8-24(9-6-16)13-17-4-2-3-7-21-17/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3,(H,22,23)
InChIKeyGWENLFRCEOITRS-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole?
The IUPAC name of 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole (CID 145274740) is 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole.
What is the SMILES notation for 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole?
The canonical SMILES for 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole is Cc1cc(OCC2CCN(Cc3ccccn3)CC2)cc2[nH]ncc12.
What is the InChIKey of 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole?
The InChIKey is GWENLFRCEOITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-10-18(11-20-19(15)12-22-23-20)25-14-16-5-8-24(9-6-16)13-17-4-2-3-7-21-17/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3,(H,22,23).
What are the key properties of 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole?
4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole has a molecular weight of 336.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-1H-indazole is sourced from PubChem (CID 145274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).