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

C18H14Cl2N6O — CID 170427112

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C18H14Cl2N6O/c19-13-2-1-12-16(10-6-24-25-7-10)14(26-18(12)17(13)20)9-23-15(27)5-11-8-21-3-4-22-11/h1-4,6-8,26H,5,9H2,(H,23,27)(H,24,25)
InChIKeyZZUCCJNGJSAUBE-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.51
Rot. Bonds5

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

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide (PubChem CID 170427112) has the molecular formula C18H14Cl2N6O and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide
PubChem CID170427112
Molecular FormulaC18H14Cl2N6O
Molecular Weight401.26 g/mol
Exact Mass400.06
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C18H14Cl2N6O/c19-13-2-1-12-16(10-6-24-25-7-10)14(26-18(12)17(13)20)9-23-15(27)5-11-8-21-3-4-22-11/h1-4,6-8,26H,5,9H2,(H,23,27)(H,24,25)
InChIKeyZZUCCJNGJSAUBE-UHFFFAOYSA-N
XLogP3.51
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560
US20230391786, Example 277
CID 170795265
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-piperazin-1-ylacetamide
CID 166626547
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

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide?
The IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide (CID 170427112) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide is O=C(Cc1cnccn1)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-pyrazin-2-ylacetamide?
The InChIKey is ZZUCCJNGJSAUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6O/c19-13-2-1-12-16(10-6-24-25-7-10)14(26-18(12)17(13)20)9-23-15(27)5-11-8-21-3-4-22-11/h1-4,6-8,26H,5,9H2,(H,23,27)(H,24,25).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-pyrazin-2-ylacetamide has a molecular weight of 401.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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-pyrazin-2-ylacetamide is sourced from PubChem (CID 170427112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).