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

C16H15Cl2N5O2 — CID 170427177

IUPAC2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C16H15Cl2N5O2/c1-8(24)19-7-13(25)20-6-12-14(9-4-21-22-5-9)10-2-3-11(17)15(18)16(10)23-12/h2-5,23H,6-7H2,1H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyVXQUUWBILXJFAD-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.62
Rot. Bonds5

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

2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide (PubChem CID 170427177) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
PubChem CID170427177
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C16H15Cl2N5O2/c1-8(24)19-7-13(25)20-6-12-14(9-4-21-22-5-9)10-2-3-11(17)15(18)16(10)23-12/h2-5,23H,6-7H2,1H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyVXQUUWBILXJFAD-UHFFFAOYSA-N
XLogP2.62
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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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
1-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-hydroxyethanone
CID 139388865
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 219
CID 170427213

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide (CID 170427177) is 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide is CC(=O)NCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is VXQUUWBILXJFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-8(24)19-7-13(25)20-6-12-14(9-4-21-22-5-9)10-2-3-11(17)15(18)16(10)23-12/h2-5,23H,6-7H2,1H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 380.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 170427177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).