N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide

C17H20ClN7O2 — CID 170795250

IUPACN-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C17H20ClN7O2/c1-10(27)21-14-4-12(18)5-15-17(14)13(11-6-19-20-7-11)8-25(15)16-9-24(2-3-26)23-22-16/h4-5,8-9,11,19-20,26H,2-3,6-7H2,1H3,(H,21,27)
InChIKeyMTEMGMDWXFQITP-UHFFFAOYSA-N
MW389.85 g/mol
LogP1.02
Rot. Bonds5

About N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide

N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide (PubChem CID 170795250) has the molecular formula C17H20ClN7O2 and a molecular weight of 389.85 g/mol. Its IUPAC name is N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
PubChem CID170795250
Molecular FormulaC17H20ClN7O2
Molecular Weight389.85 g/mol
Exact Mass389.14
IUPAC NameN-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C17H20ClN7O2/c1-10(27)21-14-4-12(18)5-15-17(14)13(11-6-19-20-7-11)8-25(15)16-9-24(2-3-26)23-22-16/h4-5,8-9,11,19-20,26H,2-3,6-7H2,1H3,(H,21,27)
InChIKeyMTEMGMDWXFQITP-UHFFFAOYSA-N
XLogP1.02
TPSA109.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

US20230391786, Example 172
CID 170795243
US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 212
CID 170795252
US20230391786, Example 213
CID 170795253
US20230391786, Example 227
CID 170795256
US20230391786, Example 228
CID 170795257

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The IUPAC name of N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide (CID 170795250) is N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide.
What is the SMILES notation for N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The canonical SMILES for N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide is CC(=O)Nc1cc(Cl)cc2c1c(C1CNNC1)cn2-c1cn(CCO)nn1.
What is the InChIKey of N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The InChIKey is MTEMGMDWXFQITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O2/c1-10(27)21-14-4-12(18)5-15-17(14)13(11-6-19-20-7-11)8-25(15)16-9-24(2-3-26)23-22-16/h4-5,8-9,11,19-20,26H,2-3,6-7H2,1H3,(H,21,27).
What are the key properties of N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide has a molecular weight of 389.85 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide is sourced from PubChem (CID 170795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).