2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C19H19N5O3 — CID 71236295

IUPAC2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)O)c4n3)cc2)CC1
InChIInChI=1S/C19H19N5O3/c1-12(25)23-6-8-24(9-7-23)14-4-2-13(3-5-14)16-11-21-18-17(22-16)15(10-20-18)19(26)27/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,26,27)
InChIKeyLTHIZYYKCDYPEA-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236295) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236295
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)O)c4n3)cc2)CC1
InChIInChI=1S/C19H19N5O3/c1-12(25)23-6-8-24(9-7-23)14-4-2-13(3-5-14)16-11-21-18-17(22-16)15(10-20-18)19(26)27/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,26,27)
InChIKeyLTHIZYYKCDYPEA-UHFFFAOYSA-N
XLogP1.99
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236295) is 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)O)c4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is LTHIZYYKCDYPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12(25)23-6-8-24(9-7-23)14-4-2-13(3-5-14)16-11-21-18-17(22-16)15(10-20-18)19(26)27/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,26,27).
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).