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

C23H22N4O4S — CID 71217130

IUPACN-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-10-4-15(5-11-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-6-8-17(31-3)9-7-16/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyRIOCPJDKAZYQRO-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.07
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71217130) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71217130
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-10-4-15(5-11-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-6-8-17(31-3)9-7-16/h4-14H,1-3H3,(H,24,25)(H,26,28)
InChIKeyRIOCPJDKAZYQRO-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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Related Compounds

N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(furan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766857
2,6-difluoro-N-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44230989
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231123
2,6-difluoro-N-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44231723
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728
N-tert-butyl-2-(5-(difluoromethoxy)-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71280539
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 76314564
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 76321826
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylbutyl)thiophene-2-carboxamide
CID 76325462
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylthiophene-2-carboxamide
CID 76332688
N-(2,2-dimethylpropyl)-4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxamide
CID 76336291

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71217130) is N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RIOCPJDKAZYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-14(2)32(29,30)18-10-4-15(5-11-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-16-6-8-17(31-3)9-7-16/h4-14H,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(4-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-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).