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

C15H15Cl2N7O — CID 170795253

IUPAC2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H15Cl2N7O/c16-11-2-1-9-10(8-3-19-20-4-8)5-24(15(9)14(11)17)13-7-23(22-21-13)6-12(18)25/h1-2,5,7-8,19-20H,3-4,6H2,(H2,18,25)
InChIKeyXXRKZCAKZRDGBR-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.21
Rot. Bonds4

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

2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide (PubChem CID 170795253) has the molecular formula C15H15Cl2N7O and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
PubChem CID170795253
Molecular FormulaC15H15Cl2N7O
Molecular Weight380.24 g/mol
Exact Mass379.07
IUPAC Name2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H15Cl2N7O/c16-11-2-1-9-10(8-3-19-20-4-8)5-24(15(9)14(11)17)13-7-23(22-21-13)6-12(18)25/h1-2,5,7-8,19-20H,3-4,6H2,(H2,18,25)
InChIKeyXXRKZCAKZRDGBR-UHFFFAOYSA-N
XLogP1.21
TPSA102.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 218
CID 170795255
US20230391786, Example 328
CID 170426577
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 111
CID 170427013
US20230391786, Example 103
CID 170427222
US20230391786, Example 34
CID 170427549
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 201
CID 170795250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The IUPAC name of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide (CID 170795253) is 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide is NC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The InChIKey is XXRKZCAKZRDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N7O/c16-11-2-1-9-10(8-3-19-20-4-8)5-24(15(9)14(11)17)13-7-23(22-21-13)6-12(18)25/h1-2,5,7-8,19-20H,3-4,6H2,(H2,18,25).
What are the key properties of 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide has a molecular weight of 380.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dichloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 170795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).