2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide

C17H14Cl2N6O — CID 170426761

IUPAC2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1)NCc1ccn[nH]1
InChIInChI=1S/C17H14Cl2N6O/c18-12-2-1-11-15(9-6-22-23-7-9)13(24-17(11)16(12)19)5-14(26)20-8-10-3-4-21-25-10/h1-4,6-7,24H,5,8H2,(H,20,26)(H,21,25)(H,22,23)
InChIKeyCQHJMBKGQPHBFY-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.45
Rot. Bonds5

About 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide

2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 170426761) has the molecular formula C17H14Cl2N6O and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID170426761
Molecular FormulaC17H14Cl2N6O
Molecular Weight389.25 g/mol
Exact Mass388.06
IUPAC Name2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1)NCc1ccn[nH]1
InChIInChI=1S/C17H14Cl2N6O/c18-12-2-1-11-15(9-6-22-23-7-9)13(24-17(11)16(12)19)5-14(26)20-8-10-3-4-21-25-10/h1-4,6-7,24H,5,8H2,(H,20,26)(H,21,25)(H,22,23)
InChIKeyCQHJMBKGQPHBFY-UHFFFAOYSA-N
XLogP3.45
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)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 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
CID 166627122
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide
CID 166627819
1-[6,7-Dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-(methylamino)ethanone
CID 166631177
(2S)-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 166634267
US20230391786, Example 20
CID 170426488

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 170426761) is 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(Cc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1)NCc1ccn[nH]1.
What is the InChIKey of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is CQHJMBKGQPHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6O/c18-12-2-1-11-15(9-6-22-23-7-9)13(24-17(11)16(12)19)5-14(26)20-8-10-3-4-21-25-10/h1-4,6-7,24H,5,8H2,(H,20,26)(H,21,25)(H,22,23).
What are the key properties of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 170426761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).