3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol

C26H43N5O — CID 13210615

IUPAC3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol
SMILESOc1ccc2c(c1)c(NCCCCCCN1CCCCC1)nn2CCCN1CCCCC1
InChIInChI=1S/C26H43N5O/c32-23-12-13-25-24(22-23)26(28-31(25)21-11-20-30-18-9-4-10-19-30)27-14-5-1-2-6-15-29-16-7-3-8-17-29/h12-13,22,32H,1-11,14-21H2,(H,27,28)
InChIKeyMJJJLRPYVCYLBP-UHFFFAOYSA-N
MW441.66 g/mol
LogP5.08
Rot. Bonds12

About 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol

3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol (PubChem CID 13210615) has the molecular formula C26H43N5O and a molecular weight of 441.66 g/mol. Its IUPAC name is 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol.

Molecular Properties

Compound Name3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol
PubChem CID13210615
Molecular FormulaC26H43N5O
Molecular Weight441.66 g/mol
Exact Mass441.35
IUPAC Name3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol
SMILESOc1ccc2c(c1)c(NCCCCCCN1CCCCC1)nn2CCCN1CCCCC1
InChIInChI=1S/C26H43N5O/c32-23-12-13-25-24(22-23)26(28-31(25)21-11-20-30-18-9-4-10-19-30)27-14-5-1-2-6-15-29-16-7-3-8-17-29/h12-13,22,32H,1-11,14-21H2,(H,27,28)
InChIKeyMJJJLRPYVCYLBP-UHFFFAOYSA-N
XLogP5.08
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(azepan-1-yl)propylamino]-1-(3-pyrrolidin-1-ylpropyl)indazol-5-ol;dihydrochloride
CID 70352699
3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol
CID 13210625
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-[3-(azepan-1-yl)propyl]-3-bromoindazole
CID 54493358
2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
CID 135736086
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
CID 11151770
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
CID 15925647
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol?
The IUPAC name of 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol (CID 13210615) is 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol.
What is the SMILES notation for 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol?
The canonical SMILES for 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol is Oc1ccc2c(c1)c(NCCCCCCN1CCCCC1)nn2CCCN1CCCCC1.
What is the InChIKey of 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol?
The InChIKey is MJJJLRPYVCYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O/c32-23-12-13-25-24(22-23)26(28-31(25)21-11-20-30-18-9-4-10-19-30)27-14-5-1-2-6-15-29-16-7-3-8-17-29/h12-13,22,32H,1-11,14-21H2,(H,27,28).
What are the key properties of 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol?
3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol has a molecular weight of 441.66 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol is sourced from PubChem (CID 13210615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).