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

C23H28N4O3S — CID 71207960

IUPACN-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCCC4)c3n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h8-11,13-16H,3-7,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyVMACGFIQCLLOPL-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.12
Rot. Bonds6

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

N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71207960) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71207960
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCCC4)c3n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h8-11,13-16H,3-7,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyVMACGFIQCLLOPL-UHFFFAOYSA-N
XLogP4.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71207960) is N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCCC4)c3n2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VMACGFIQCLLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h8-11,13-16H,3-7,12H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).