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

C17H19Cl2N5O2 — CID 170795234

IUPACN-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(C2CNNC2)c2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C17H19Cl2N5O2/c1-10(25)21-3-4-24-9-12(11-7-22-23-8-11)15-14(26-5-2-20)6-13(18)16(19)17(15)24/h6,9,11,22-23H,3-5,7-8H2,1H3,(H,21,25)
InChIKeyJLKUMIAIWRHZMP-UHFFFAOYSA-N
MW396.28 g/mol
LogP2.18
Rot. Bonds6

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

N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide (PubChem CID 170795234) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide
PubChem CID170795234
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC NameN-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(C2CNNC2)c2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C17H19Cl2N5O2/c1-10(25)21-3-4-24-9-12(11-7-22-23-8-11)15-14(26-5-2-20)6-13(18)16(19)17(15)24/h6,9,11,22-23H,3-5,7-8H2,1H3,(H,21,25)
InChIKeyJLKUMIAIWRHZMP-UHFFFAOYSA-N
XLogP2.18
TPSA91.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 183
CID 170426826
US20230391786, Example 113
CID 170426668
US20230391786, Example 202
CID 170426677
US20230391786, Example 288
CID 170426842
US20230391786, Example 280
CID 170426871
US20230391786, Example 88
CID 170426894
US20230391786, Example 89
CID 170426933
US20230391786, Example 290
CID 170426991
US20230391786, Example 153
CID 170426998
US20230391786, Example 232
CID 170427005
US20230391786, Example 59
CID 170427040
US20230391786, Example 91
CID 170427073

Frequently Asked Questions

What is the IUPAC name of N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide (CID 170795234) is N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(C2CNNC2)c2c(OCC#N)cc(Cl)c(Cl)c21.
What is the InChIKey of N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide?
The InChIKey is JLKUMIAIWRHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c1-10(25)21-3-4-24-9-12(11-7-22-23-8-11)15-14(26-5-2-20)6-13(18)16(19)17(15)24/h6,9,11,22-23H,3-5,7-8H2,1H3,(H,21,25).
What are the key properties of N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide?
N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide has a molecular weight of 396.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6,7-dichloro-4-(cyanomethoxy)-3-pyrazolidin-4-ylindol-1-yl]ethyl]acetamide is sourced from PubChem (CID 170795234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).