N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C62H70N12O13S4 — CID 159126662

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-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)NC4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4(C)COC4)c3n2)cc1
InChIInChI=1S/2C21H24N4O4S.C20H22N4O5S2/c1-13(2)30(27,28)15-6-4-14(5-7-15)17-9-23-19-18(25-17)16(8-22-19)20(26)24-10-21(3)11-29-12-21;1-13(2)30(27,28)16-5-3-14(4-6-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-15-7-9-29-10-8-15;1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h4-9,13H,10-12H2,1-3H3,(H,22,23)(H,24,26);3-6,11-13,15H,7-10H2,1-2H3,(H,22,23)(H,24,26);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyKGJDAATWAYECKR-UHFFFAOYSA-N
MW1319.58 g/mol
LogP7.01
Rot. Bonds16

About N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159126662) has the molecular formula C62H70N12O13S4 and a molecular weight of 1319.58 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID159126662
Molecular FormulaC62H70N12O13S4
Molecular Weight1319.58 g/mol
Exact Mass1318.41
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-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)NC4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4(C)COC4)c3n2)cc1
InChIInChI=1S/2C21H24N4O4S.C20H22N4O5S2/c1-13(2)30(27,28)15-6-4-14(5-7-15)17-9-23-19-18(25-17)16(8-22-19)20(26)24-10-21(3)11-29-12-21;1-13(2)30(27,28)16-5-3-14(4-6-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-15-7-9-29-10-8-15;1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h4-9,13H,10-12H2,1-3H3,(H,22,23)(H,24,26);3-6,11-13,15H,7-10H2,1-2H3,(H,22,23)(H,24,26);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyKGJDAATWAYECKR-UHFFFAOYSA-N
XLogP7.01
TPSA367.03 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001319.58
LogP ≤ 57.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-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-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159126662) is N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-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)NC4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4(C)COC4)c3n2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KGJDAATWAYECKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N4O4S.C20H22N4O5S2/c1-13(2)30(27,28)15-6-4-14(5-7-15)17-9-23-19-18(25-17)16(8-22-19)20(26)24-10-21(3)11-29-12-21;1-13(2)30(27,28)16-5-3-14(4-6-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-15-7-9-29-10-8-15;1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h4-9,13H,10-12H2,1-3H3,(H,22,23)(H,24,26);3-6,11-13,15H,7-10H2,1-2H3,(H,22,23)(H,24,26);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1319.58 g/mol, XLogP of 7.01, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyloxetan-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159126662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).