2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

C15H16ClFN6O — CID 170795255

IUPAC2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(F)c32)nn1
InChIInChI=1S/C15H16ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,7-9,18-19,24H,3-6H2
InChIKeyMGBKOANHFJLWNZ-UHFFFAOYSA-N
MW350.79 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol

2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (PubChem CID 170795255) has the molecular formula C15H16ClFN6O and a molecular weight of 350.79 g/mol. Its IUPAC name is 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
PubChem CID170795255
Molecular FormulaC15H16ClFN6O
Molecular Weight350.79 g/mol
Exact Mass350.11
IUPAC Name2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(F)c32)nn1
InChIInChI=1S/C15H16ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,7-9,18-19,24H,3-6H2
InChIKeyMGBKOANHFJLWNZ-UHFFFAOYSA-N
XLogP1.20
TPSA79.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 172
CID 170795243
US20230391786, Example 173
CID 170795244
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 166
CID 170795242
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 212
CID 170795252
US20230391786, Example 213
CID 170795253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol (CID 170795255) is 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is OCCn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(F)c32)nn1.
What is the InChIKey of 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
The InChIKey is MGBKOANHFJLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,7-9,18-19,24H,3-6H2.
What are the key properties of 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol?
2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol has a molecular weight of 350.79 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-7-fluoro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]ethanol is sourced from PubChem (CID 170795255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).