5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole

C20H30N4O — CID 70716523

IUPAC5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
SMILESCOc1ccc2n[nH]c(CN3CCC(C(C)N4CCCC4)CC3)c2c1
InChIInChI=1S/C20H30N4O/c1-15(24-9-3-4-10-24)16-7-11-23(12-8-16)14-20-18-13-17(25-2)5-6-19(18)21-22-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,21,22)
InChIKeyKNDCWBBGSWBFCA-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds5

About 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole

5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole (PubChem CID 70716523) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
PubChem CID70716523
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole
SMILESCOc1ccc2n[nH]c(CN3CCC(C(C)N4CCCC4)CC3)c2c1
InChIInChI=1S/C20H30N4O/c1-15(24-9-3-4-10-24)16-7-11-23(12-8-16)14-20-18-13-17(25-2)5-6-19(18)21-22-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,21,22)
InChIKeyKNDCWBBGSWBFCA-UHFFFAOYSA-N
XLogP3.27
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 95885516
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
5-methoxy-3-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-2H-indazole
CID 70752715
2-ethyl-8-[(5-methoxy-2H-indazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70719515
5-methoxy-3-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-2H-indazole
CID 56895863
(1R,5S)-6-(cyclobutylmethyl)-3-[(5-methoxy-2H-indazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133110057
(3R,4S)-3-hydroxy-1-[(5-methoxy-2H-indazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 163316039
7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70718335
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole?
The IUPAC name of 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole (CID 70716523) is 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole is COc1ccc2n[nH]c(CN3CCC(C(C)N4CCCC4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole?
The InChIKey is KNDCWBBGSWBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(24-9-3-4-10-24)16-7-11-23(12-8-16)14-20-18-13-17(25-2)5-6-19(18)21-22-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H,21,22).
What are the key properties of 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole?
5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole has a molecular weight of 342.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 70716523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).