5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole

C18H27N3O2 — CID 70752715

IUPAC5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole
SMILESCOCCCC1CCCN(Cc2[nH]nc3ccc(OC)cc23)C1
InChIInChI=1S/C18H27N3O2/c1-22-10-4-6-14-5-3-9-21(12-14)13-18-16-11-15(23-2)7-8-17(16)19-20-18/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyLPJFXHJAQSGAGS-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.21
Rot. Bonds7

About 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole

5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole (PubChem CID 70752715) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole
PubChem CID70752715
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole
SMILESCOCCCC1CCCN(Cc2[nH]nc3ccc(OC)cc23)C1
InChIInChI=1S/C18H27N3O2/c1-22-10-4-6-14-5-3-9-21(12-14)13-18-16-11-15(23-2)7-8-17(16)19-20-18/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyLPJFXHJAQSGAGS-UHFFFAOYSA-N
XLogP3.21
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
CID 70716523
(1R,5S)-6-(cyclobutylmethyl)-3-[(5-methoxy-2H-indazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133110057
5-methoxy-3-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-2H-indazole
CID 56895863
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
(3R,4S)-3-hydroxy-1-[(5-methoxy-2H-indazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 163316039
3-[[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methyl]benzonitrile
CID 99926603
3-[[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methyl]benzonitrile
CID 99926601
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-chloroethyl)piperidine
CID 65326785
7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70718335
3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
CID 70745905
2-ethyl-8-[(5-methoxy-2H-indazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70719515

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole?
The IUPAC name of 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole (CID 70752715) is 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole is COCCCC1CCCN(Cc2[nH]nc3ccc(OC)cc23)C1.
What is the InChIKey of 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole?
The InChIKey is LPJFXHJAQSGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-22-10-4-6-14-5-3-9-21(12-14)13-18-16-11-15(23-2)7-8-17(16)19-20-18/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole?
5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole has a molecular weight of 317.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 70752715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).