N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide

C16H14Cl2N4O — CID 170426879

IUPACN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
SMILESCC(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H14Cl2N4O/c1-8(23)21-10-4-13-14(9-5-19-20-6-9)11-2-3-12(17)15(18)16(11)22(13)7-10/h2-3,5-6,10H,4,7H2,1H3,(H,19,20)(H,21,23)
InChIKeyUDXIZSZJVZGDLP-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.40
Rot. Bonds2

About N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide

N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide (PubChem CID 170426879) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
PubChem CID170426879
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
SMILESCC(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H14Cl2N4O/c1-8(23)21-10-4-13-14(9-5-19-20-6-9)11-2-3-12(17)15(18)16(11)22(13)7-10/h2-3,5-6,10H,4,7H2,1H3,(H,19,20)(H,21,23)
InChIKeyUDXIZSZJVZGDLP-UHFFFAOYSA-N
XLogP3.40
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
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
US20230391786, Example 274
CID 170426644
US20230391786, Example 170
CID 170426687
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide?
The IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide (CID 170426879) is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide.
What is the SMILES notation for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide?
The canonical SMILES for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide is CC(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide?
The InChIKey is UDXIZSZJVZGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-8(23)21-10-4-13-14(9-5-19-20-6-9)11-2-3-12(17)15(18)16(11)22(13)7-10/h2-3,5-6,10H,4,7H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide?
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide has a molecular weight of 349.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide is sourced from PubChem (CID 170426879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).