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

C23H23N5O3S — CID 71208160

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cccnc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C23H23N5O3S/c1-14(2)32(30,31)17-8-6-16(7-9-17)20-13-26-22-21(28-20)18(11-25-22)23(29)27-12-19-15(3)5-4-10-24-19/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyBLGZXNCMMXTKAC-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.44
Rot. Bonds6

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

N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208160) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208160
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cccnc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C23H23N5O3S/c1-14(2)32(30,31)17-8-6-16(7-9-17)20-13-26-22-21(28-20)18(11-25-22)23(29)27-12-19-15(3)5-4-10-24-19/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyBLGZXNCMMXTKAC-UHFFFAOYSA-N
XLogP3.44
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208160) is N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cccnc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BLGZXNCMMXTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14(2)32(30,31)17-8-6-16(7-9-17)20-13-26-22-21(28-20)18(11-25-22)23(29)27-12-19-15(3)5-4-10-24-19/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,29).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).