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

C15H16ClN7O — CID 170795256

IUPAC2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H16ClN7O/c16-10-1-2-11-12(9-4-18-19-5-9)6-23(13(11)3-10)15-8-22(21-20-15)7-14(17)24/h1-3,6,8-9,18-19H,4-5,7H2,(H2,17,24)
InChIKeyPVFDKYWTMCQDIE-UHFFFAOYSA-N
MW345.79 g/mol
LogP0.55
Rot. Bonds4

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

2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide (PubChem CID 170795256) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
PubChem CID170795256
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C15H16ClN7O/c16-10-1-2-11-12(9-4-18-19-5-9)6-23(13(11)3-10)15-8-22(21-20-15)7-14(17)24/h1-3,6,8-9,18-19H,4-5,7H2,(H2,17,24)
InChIKeyPVFDKYWTMCQDIE-UHFFFAOYSA-N
XLogP0.55
TPSA102.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 172
CID 170795243
US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 34
CID 170427549
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
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-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The IUPAC name of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide (CID 170795256) is 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide is NC(=O)Cn1cc(-n2cc(C3CNNC3)c3ccc(Cl)cc32)nn1.
What is the InChIKey of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
The InChIKey is PVFDKYWTMCQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c16-10-1-2-11-12(9-4-18-19-5-9)6-23(13(11)3-10)15-8-22(21-20-15)7-14(17)24/h1-3,6,8-9,18-19H,4-5,7H2,(H2,17,24).
What are the key properties of 2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide?
2-[4-(6-chloro-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 0.55, 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-3-pyrazolidin-4-ylindol-1-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 170795256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).