5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

C18H17ClN4O3 — CID 122053569

IUPAC5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)cn1
InChIInChI=1S/C18H17ClN4O3/c19-11-1-2-12-13(7-11)22-17(24)16(12)10-3-5-23(6-4-10)15-9-20-14(8-21-15)18(25)26/h1-2,7-10,16H,3-6H2,(H,22,24)(H,25,26)
InChIKeyABYJOXQGPGAIOB-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.78
Rot. Bonds3

About 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053569) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053569
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)cn1
InChIInChI=1S/C18H17ClN4O3/c19-11-1-2-12-13(7-11)22-17(24)16(12)10-3-5-23(6-4-10)15-9-20-14(8-21-15)18(25)26/h1-2,7-10,16H,3-6H2,(H,22,24)(H,25,26)
InChIKeyABYJOXQGPGAIOB-UHFFFAOYSA-N
XLogP2.78
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one
CID 120903158
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053457
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122048866
5-[4-(4-methylphenoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053856
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122050962
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122053569) is 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(C3C(=O)Nc4cc(Cl)ccc43)CC2)cn1.
What is the InChIKey of 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is ABYJOXQGPGAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-11-1-2-12-13(7-11)22-17(24)16(12)10-3-5-23(6-4-10)15-9-20-14(8-21-15)18(25)26/h1-2,7-10,16H,3-6H2,(H,22,24)(H,25,26).
What are the key properties of 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 372.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).