N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C74H83ClN14O12S3 — CID 160811563

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cc(C(C)(C)C)on4)c3n2)cc1.CC(c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C26H33N5O5S.C25H25ClN4O3S.C23H25N5O4S/c1-17(2)37(34,35)19-9-7-18(8-10-19)21-16-28-23-22(29-21)20(15-27-23)24(32)30-11-6-12-31(14-13-30)25(33)36-26(3,4)5;1-15(2)34(32,33)20-11-7-18(8-12-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)17-5-9-19(26)10-6-17;1-13(2)33(30,31)15-8-6-14(7-9-15)17-12-25-21-20(26-17)16(11-24-21)22(29)27-19-10-18(32-28-19)23(3,4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,27,28);5-16H,1-4H3,(H,27,28);6-13H,1-5H3,(H,24,25)(H,27,28,29)
InChIKeySEJATOLIBKBKOS-UHFFFAOYSA-N
MW1492.22 g/mol
LogP13.53
Rot. Bonds15

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 160811563) has the molecular formula C74H83ClN14O12S3 and a molecular weight of 1492.22 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID160811563
Molecular FormulaC74H83ClN14O12S3
Molecular Weight1492.22 g/mol
Exact Mass1490.52
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cc(C(C)(C)C)on4)c3n2)cc1.CC(c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C26H33N5O5S.C25H25ClN4O3S.C23H25N5O4S/c1-17(2)37(34,35)19-9-7-18(8-10-19)21-16-28-23-22(29-21)20(15-27-23)24(32)30-11-6-12-31(14-13-30)25(33)36-26(3,4)5;1-15(2)34(32,33)20-11-7-18(8-12-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)17-5-9-19(26)10-6-17;1-13(2)33(30,31)15-8-6-14(7-9-15)17-12-25-21-20(26-17)16(11-24-21)22(29)27-19-10-18(32-28-19)23(3,4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,27,28);5-16H,1-4H3,(H,27,28);6-13H,1-5H3,(H,24,25)(H,27,28,29)
InChIKeySEJATOLIBKBKOS-UHFFFAOYSA-N
XLogP13.53
TPSA352.42 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.22
LogP ≤ 513.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-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-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 160811563) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-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)N4CCCN(C(=O)OC(C)(C)C)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cc(C(C)(C)C)on4)c3n2)cc1.CC(c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SEJATOLIBKBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S.C25H25ClN4O3S.C23H25N5O4S/c1-17(2)37(34,35)19-9-7-18(8-10-19)21-16-28-23-22(29-21)20(15-27-23)24(32)30-11-6-12-31(14-13-30)25(33)36-26(3,4)5;1-15(2)34(32,33)20-11-7-18(8-12-20)22-14-28-24-23(29-22)21(13-27-24)25(31)30(4)16(3)17-5-9-19(26)10-6-17;1-13(2)33(30,31)15-8-6-14(7-9-15)17-12-25-21-20(26-17)16(11-24-21)22(29)27-19-10-18(32-28-19)23(3,4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,27,28);5-16H,1-4H3,(H,27,28);6-13H,1-5H3,(H,24,25)(H,27,28,29).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1492.22 g/mol, XLogP of 13.53, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 160811563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).