4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

C20H15N5O2 — CID 58754724

IUPAC4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1
InChIInChI=1S/C20H15N5O2/c21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h1-10H,(H2,21,26)(H2,22,27)(H,23,24)
InChIKeyQYXVLEIUQVDGDO-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.49
Rot. Bonds4

About 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 58754724) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
PubChem CID58754724
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1
InChIInChI=1S/C20H15N5O2/c21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h1-10H,(H2,21,26)(H2,22,27)(H,23,24)
InChIKeyQYXVLEIUQVDGDO-UHFFFAOYSA-N
XLogP2.49
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The IUPAC name of 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (CID 58754724) is 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The canonical SMILES for 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is NC(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3n2)cc1.
What is the InChIKey of 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The InChIKey is QYXVLEIUQVDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c21-18(26)13-5-1-11(2-6-13)15-9-23-20-17(15)25-16(10-24-20)12-3-7-14(8-4-12)19(22)27/h1-10H,(H2,21,26)(H2,22,27)(H,23,24).
What are the key properties of 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 58754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).