N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H22N4O4S — CID 71217131

IUPACN-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1
InChIInChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-9-7-15(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-5-4-6-17(11-16)31-3/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyLDIQCZPJIXDNRB-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.07
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71217131) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71217131
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1
InChIInChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-9-7-15(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-5-4-6-17(11-16)31-3/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyLDIQCZPJIXDNRB-UHFFFAOYSA-N
XLogP4.07
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71217131) is N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LDIQCZPJIXDNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-9-7-15(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-5-4-6-17(11-16)31-3/h4-14H,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71217131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).