2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

C16H19ClN6O2 — CID 170795239

IUPAC2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESCOc1cc2c(C3CNNC3)cn(-c3cn(CCO)nn3)c2cc1Cl
InChIInChI=1S/C16H19ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3
InChIKeyQMXAWPCIPSOVDG-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.07
Rot. Bonds5

About 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (PubChem CID 170795239) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
PubChem CID170795239
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESCOc1cc2c(C3CNNC3)cn(-c3cn(CCO)nn3)c2cc1Cl
InChIInChI=1S/C16H19ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3
InChIKeyQMXAWPCIPSOVDG-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

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Related Compounds

US20230391786, Example 161
CID 170795241
US20230391786, Example 197
CID 170795246
US20230391786, Example 341
CID 170795271
US20230391786, Example 342
CID 170795272
US12404261, Example 83a
CID 164549112
US12404261, Example 91
CID 164549115
US12404261, Example 127
CID 164549120
US12404261, Example 63
CID 164549121
US12404261, Example 85
CID 164549127
US12404261, Example 41
CID 164549128
US12404261, Example 75
CID 164549136
US12404261, Example 124b
CID 164549142

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (CID 170795239) is 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is COc1cc2c(C3CNNC3)cn(-c3cn(CCO)nn3)c2cc1Cl.
What is the InChIKey of 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The InChIKey is QMXAWPCIPSOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-25-15-4-11-12(10-6-18-19-7-10)8-23(14(11)5-13(15)17)16-9-22(2-3-24)21-20-16/h4-5,8-10,18-19,24H,2-3,6-7H2,1H3.
What are the key properties of 2-[4-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
2-[4-(6-chloro-5-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-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is sourced from PubChem (CID 170795239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).