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

C15H14Cl2N4O2 — CID 170426990

IUPACN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide
SMILESCn1c(CNC(=O)CO)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H14Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-5,22H,6-7H2,1H3,(H,18,23)(H,19,20)
InChIKeyCNDVXPCAUOLSKA-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.48
Rot. Bonds4

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

N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 170426990) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide
PubChem CID170426990
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC NameN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide
SMILESCn1c(CNC(=O)CO)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H14Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-5,22H,6-7H2,1H3,(H,18,23)(H,19,20)
InChIKeyCNDVXPCAUOLSKA-UHFFFAOYSA-N
XLogP2.48
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide 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 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
US20230391786, Example 187
CID 170427620
US20230391786, Example 169
CID 170427659

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide (CID 170426990) is N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide is Cn1c(CNC(=O)CO)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is CNDVXPCAUOLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-5,22H,6-7H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide?
N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 353.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 170426990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).