2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H20N4O4 — CID 58522276

IUPAC2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1cc(OC)cc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C18H20N4O4/c1-10(2)21-18(23)14-8-19-17-16(14)22-15(9-20-17)26-13-6-11(24-3)5-12(7-13)25-4/h5-10H,1-4H3,(H,19,20)(H,21,23)
InChIKeyPCLPJEJPDRXJHK-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.91
Rot. Bonds6

About 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522276) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522276
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1cc(OC)cc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C18H20N4O4/c1-10(2)21-18(23)14-8-19-17-16(14)22-15(9-20-17)26-13-6-11(24-3)5-12(7-13)25-4/h5-10H,1-4H3,(H,19,20)(H,21,23)
InChIKeyPCLPJEJPDRXJHK-UHFFFAOYSA-N
XLogP2.91
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522276) is 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COc1cc(OC)cc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is PCLPJEJPDRXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-10(2)21-18(23)14-8-19-17-16(14)22-15(9-20-17)26-13-6-11(24-3)5-12(7-13)25-4/h5-10H,1-4H3,(H,19,20)(H,21,23).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).