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

C15H15Cl2N5O — CID 170427491

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H15Cl2N5O/c1-18-7-12(23)19-6-11-13(8-4-20-21-5-8)9-2-3-10(16)14(17)15(9)22-11/h2-5,18,22H,6-7H2,1H3,(H,19,23)(H,20,21)
InChIKeyCBOWFFMRKLPZNH-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.70
Rot. Bonds5

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

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide (PubChem CID 170427491) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide
PubChem CID170427491
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H15Cl2N5O/c1-18-7-12(23)19-6-11-13(8-4-20-21-5-8)9-2-3-10(16)14(17)15(9)22-11/h2-5,18,22H,6-7H2,1H3,(H,19,23)(H,20,21)
InChIKeyCBOWFFMRKLPZNH-UHFFFAOYSA-N
XLogP2.70
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
cGAS inhibitor TDI007635
CID 139387817
US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide (CID 170427491) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide?
The InChIKey is CBOWFFMRKLPZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-18-7-12(23)19-6-11-13(8-4-20-21-5-8)9-2-3-10(16)14(17)15(9)22-11/h2-5,18,22H,6-7H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide has a molecular weight of 352.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 170427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).