2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

C16H19ClN6O2 — CID 170795241

IUPAC2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESCOc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C16H19ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3
InChIKeyLXUXCNRIQKTVGB-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.07
Rot. Bonds5

About 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (PubChem CID 170795241) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
PubChem CID170795241
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESCOc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C16H19ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3
InChIKeyLXUXCNRIQKTVGB-UHFFFAOYSA-N
XLogP1.07
TPSA89.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol with MolForge

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Related Compounds

US20230391786, Example 152
CID 170795239
US20230391786, Example 197
CID 170795246
2-[6,7-Dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-4-yl]oxyacetonitrile
CID 170426479
CID 170426902
CID 170426902
CID 170427791
CID 170427791
2-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-(1H-pyrazol-4-yl)indol-4-yl]oxyacetonitrile
CID 170427859
Tert-butyl-[2-[4-(6-chloro-3-iodo-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550395
Tert-butyl-[2-[4-[6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
CID 170550447
Tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550482
2-[amino-[(E)-2-amino-2-[6-chloro-4-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]ethenyl]amino]ethanol
CID 170610154
CID 175969492
CID 175969492
6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2H-triazol-4-yl)indole
CID 175969494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (CID 170795241) is 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is COc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1.
What is the InChIKey of 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The InChIKey is LXUXCNRIQKTVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-25-14-5-11(17)4-13-16(14)12(10-6-18-19-7-10)8-23(13)15-9-22(2-3-24)21-20-15/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3.
What are the key properties of 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol has a molecular weight of 362.82 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-4-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is sourced from PubChem (CID 170795241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).