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

C25H24N4O4S — CID 71217143

IUPACN-[(1R,2R)-2-hydroxy-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)N[C@@H]4c5ccccc5C[C@H]4O)c3n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-14(2)34(32,33)17-9-7-15(8-10-17)20-13-27-24-23(28-20)19(12-26-24)25(31)29-22-18-6-4-3-5-16(18)11-21(22)30/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31)/t21-,22-/m1/s1
InChIKeyOWVZDUPOEIWETB-FGZHOGPDSA-N
MW476.56 g/mol
LogP3.20
Rot. Bonds5

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

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71217143) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71217143
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[(1R,2R)-2-hydroxy-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)N[C@@H]4c5ccccc5C[C@H]4O)c3n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-14(2)34(32,33)17-9-7-15(8-10-17)20-13-27-24-23(28-20)19(12-26-24)25(31)29-22-18-6-4-3-5-16(18)11-21(22)30/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31)/t21-,22-/m1/s1
InChIKeyOWVZDUPOEIWETB-FGZHOGPDSA-N
XLogP3.20
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-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-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71217143) is N-[(1R,2R)-2-hydroxy-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-[(1R,2R)-2-hydroxy-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-[(1R,2R)-2-hydroxy-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)N[C@@H]4c5ccccc5C[C@H]4O)c3n2)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OWVZDUPOEIWETB-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-14(2)34(32,33)17-9-7-15(8-10-17)20-13-27-24-23(28-20)19(12-26-24)25(31)29-22-18-6-4-3-5-16(18)11-21(22)30/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31)/t21-,22-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R,2R)-2-hydroxy-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 476.56 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-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 71217143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).