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

C17H18N4O2 — CID 58522381

IUPAC2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C17H18N4O2/c1-10(2)20-17(22)13-8-18-16-15(13)21-14(9-19-16)23-12-6-4-5-11(3)7-12/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyWVDKRODNGYMRQH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.20
Rot. Bonds4

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

2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522381) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522381
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C17H18N4O2/c1-10(2)20-17(22)13-8-18-16-15(13)21-14(9-19-16)23-12-6-4-5-11(3)7-12/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyWVDKRODNGYMRQH-UHFFFAOYSA-N
XLogP3.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522381) is 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WVDKRODNGYMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10(2)20-17(22)13-8-18-16-15(13)21-14(9-19-16)23-12-6-4-5-11(3)7-12/h4-10H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).