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

C14H13Cl2N5O — CID 170427036

IUPAC2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
SMILESNCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C14H13Cl2N5O/c15-9-2-1-8-12(7-4-19-20-5-7)10(6-18-11(22)3-17)21-14(8)13(9)16/h1-2,4-5,21H,3,6,17H2,(H,18,22)(H,19,20)
InChIKeyYOHDDPARHFYRTI-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.44
Rot. Bonds4

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

2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide (PubChem CID 170427036) has the molecular formula C14H13Cl2N5O and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
PubChem CID170427036
Molecular FormulaC14H13Cl2N5O
Molecular Weight338.20 g/mol
Exact Mass337.05
IUPAC Name2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide
SMILESNCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C14H13Cl2N5O/c15-9-2-1-8-12(7-4-19-20-5-7)10(6-18-11(22)3-17)21-14(8)13(9)16/h1-2,4-5,21H,3,6,17H2,(H,18,22)(H,19,20)
InChIKeyYOHDDPARHFYRTI-UHFFFAOYSA-N
XLogP2.44
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.44
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 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide (CID 170427036) is 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide is NCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is YOHDDPARHFYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O/c15-9-2-1-8-12(7-4-19-20-5-7)10(6-18-11(22)3-17)21-14(8)13(9)16/h1-2,4-5,21H,3,6,17H2,(H,18,22)(H,19,20).
What are the key properties of 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide?
2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 338.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 170427036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).