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

C15H14Cl2N4O2 — CID 170426805

IUPAC(2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H14Cl2N4O2/c1-7(22)15(23)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,7,21-22H,6H2,1H3,(H,18,23)(H,19,20)/t7-/m0/s1
InChIKeyPLVIODMRMLNPTD-ZETCQYMHSA-N
MW353.21 g/mol
LogP2.86
Rot. Bonds4

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

(2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 170426805) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide
PubChem CID170426805
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name(2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H14Cl2N4O2/c1-7(22)15(23)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,7,21-22H,6H2,1H3,(H,18,23)(H,19,20)/t7-/m0/s1
InChIKeyPLVIODMRMLNPTD-ZETCQYMHSA-N
XLogP2.86
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide 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 170
CID 170426687
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 169
CID 170427659
1-[6,7-dichloro-9-(1H-pyrazol-5-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 139387870

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide (CID 170426805) is (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide is C[C@H](O)C(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is PLVIODMRMLNPTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-7(22)15(23)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,7,21-22H,6H2,1H3,(H,18,23)(H,19,20)/t7-/m0/s1.
What are the key properties of (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
(2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 353.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 170426805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).