N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H24N4O3S — CID 71208137

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1
InChIInChI=1S/C25H24N4O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyBGANWIHFJLNBTH-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.22
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208137) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208137
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1
InChIInChI=1S/C25H24N4O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyBGANWIHFJLNBTH-UHFFFAOYSA-N
XLogP4.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208137) is N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-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)NC4CCc5ccccc54)c3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BGANWIHFJLNBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).