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

C15H14Cl2N4O — CID 170427709

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H14Cl2N4O/c1-2-12(22)18-7-11-13(8-5-19-20-6-8)9-3-4-10(16)14(17)15(9)21-11/h3-6,21H,2,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyFYQKHUIMEXYVGS-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.89
Rot. Bonds4

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

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide (PubChem CID 170427709) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide
PubChem CID170427709
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H14Cl2N4O/c1-2-12(22)18-7-11-13(8-5-19-20-6-8)9-3-4-10(16)14(17)15(9)21-11/h3-6,21H,2,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyFYQKHUIMEXYVGS-UHFFFAOYSA-N
XLogP3.89
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide?
The IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide (CID 170427709) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide is CCC(=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]propanamide?
The InChIKey is FYQKHUIMEXYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-2-12(22)18-7-11-13(8-5-19-20-6-8)9-3-4-10(16)14(17)15(9)21-11/h3-6,21H,2,7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]propanamide has a molecular weight of 337.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 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]propanamide is sourced from PubChem (CID 170427709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).