2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol

C22H28N4O2 — CID 25009895

IUPAC2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1OCCO
InChIInChI=1S/C22H28N4O2/c1-16-4-5-17(11-22(16)28-10-9-27)14-26-8-2-3-20(15-26)24-19-6-7-21-18(12-19)13-23-25-21/h4-7,11-13,20,24,27H,2-3,8-10,14-15H2,1H3,(H,23,25)
InChIKeyGCWJCJSCGSLPQM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.32
Rot. Bonds7

About 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol

2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol (PubChem CID 25009895) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
PubChem CID25009895
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1OCCO
InChIInChI=1S/C22H28N4O2/c1-16-4-5-17(11-22(16)28-10-9-27)14-26-8-2-3-20(15-26)24-19-6-7-21-18(12-19)13-23-25-21/h4-7,11-13,20,24,27H,2-3,8-10,14-15H2,1H3,(H,23,25)
InChIKeyGCWJCJSCGSLPQM-UHFFFAOYSA-N
XLogP3.32
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol with MolForge

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Related Compounds

N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009894
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 25010076
2-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010079
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
CID 25010080
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010081
2-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010253
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010254
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide
CID 25010258
N-(2-(3-((3-(1H-indazol-5-ylamino)piperidin-1-yl)methyl)phenoxy)ethyl)acetamide
CID 25010427

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The IUPAC name of 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol (CID 25009895) is 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol is Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1OCCO.
What is the InChIKey of 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
The InChIKey is GCWJCJSCGSLPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-4-5-17(11-22(16)28-10-9-27)14-26-8-2-3-20(15-26)24-19-6-7-21-18(12-19)13-23-25-21/h4-7,11-13,20,24,27H,2-3,8-10,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol?
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol has a molecular weight of 380.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol is sourced from PubChem (CID 25009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).