N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide

C17H19Cl2N7O2 — CID 170795248

IUPACN-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C17H19Cl2N7O2/c1-9(28)22-13-4-12(18)16(19)17-15(13)11(10-5-20-21-6-10)7-26(17)14-8-25(2-3-27)24-23-14/h4,7-8,10,20-21,27H,2-3,5-6H2,1H3,(H,22,28)
InChIKeyDIHOBNAHNSFMLU-UHFFFAOYSA-N
MW424.29 g/mol
LogP1.67
Rot. Bonds5

About N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide

N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide (PubChem CID 170795248) has the molecular formula C17H19Cl2N7O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
PubChem CID170795248
Molecular FormulaC17H19Cl2N7O2
Molecular Weight424.29 g/mol
Exact Mass423.10
IUPAC NameN-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1
InChIInChI=1S/C17H19Cl2N7O2/c1-9(28)22-13-4-12(18)16(19)17-15(13)11(10-5-20-21-6-10)7-26(17)14-8-25(2-3-27)24-23-14/h4,7-8,10,20-21,27H,2-3,5-6H2,1H3,(H,22,28)
InChIKeyDIHOBNAHNSFMLU-UHFFFAOYSA-N
XLogP1.67
TPSA109.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 51.67
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 148
CID 170426654
US20230391786, Example 146
CID 170427378
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 166
CID 170795242
US20230391786, Example 198
CID 170795247
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 212
CID 170795252

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The IUPAC name of N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide (CID 170795248) is N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide.
What is the SMILES notation for N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The canonical SMILES for N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide is CC(=O)Nc1cc(Cl)c(Cl)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1.
What is the InChIKey of N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
The InChIKey is DIHOBNAHNSFMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N7O2/c1-9(28)22-13-4-12(18)16(19)17-15(13)11(10-5-20-21-6-10)7-26(17)14-8-25(2-3-27)24-23-14/h4,7-8,10,20-21,27H,2-3,5-6H2,1H3,(H,22,28).
What are the key properties of N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide?
N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide has a molecular weight of 424.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]acetamide is sourced from PubChem (CID 170795248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).