2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide

C103H105N23O16S7 — CID 162088254

IUPAC2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCNCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC4CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cncs4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.Cc1ccsc1C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C22H21N5O4S.C21H25N5O3S.C21H20N4O3S2.C20H22N4O3S.C19H17N5O3S2/c1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;1-13(2)30(28,29)16-5-3-14(4-6-16)17-11-23-20-19(25-17)18(12-24-20)26-21(27)15-7-9-22-10-8-15;1-12(2)30(27,28)15-6-4-14(5-7-15)16-10-22-20-18(24-16)17(11-23-20)25-21(26)19-13(3)8-9-29-19;1-12(2)28(26,27)15-7-5-14(6-8-15)16-10-21-20-19(24-16)17(11-22-20)23-18(25)9-13-3-4-13;1-11(2)29(26,27)13-5-3-12(4-6-13)14-7-21-18-17(23-14)15(8-22-18)24-19(25)16-9-20-10-28-16/h4-13H,1-3H3,(H,23,24)(H,27,28);3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,24)(H,26,27);4-12H,1-3H3,(H,22,23)(H,25,26);5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)(H,23,25);3-11H,1-2H3,(H,21,22)(H,24,25)
InChIKeyZDGJAKOCRYKSMH-UHFFFAOYSA-N
MW2145.59 g/mol
LogP17.70
Rot. Bonds27

About 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide (PubChem CID 162088254) has the molecular formula C103H105N23O16S7 and a molecular weight of 2145.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide
PubChem CID162088254
Molecular FormulaC103H105N23O16S7
Molecular Weight2145.59 g/mol
Exact Mass2143.62
IUPAC Name2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCNCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC4CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cncs4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.Cc1ccsc1C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C22H21N5O4S.C21H25N5O3S.C21H20N4O3S2.C20H22N4O3S.C19H17N5O3S2/c1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;1-13(2)30(28,29)16-5-3-14(4-6-16)17-11-23-20-19(25-17)18(12-24-20)26-21(27)15-7-9-22-10-8-15;1-12(2)30(27,28)15-6-4-14(5-7-15)16-10-22-20-18(24-16)17(11-23-20)25-21(26)19-13(3)8-9-29-19;1-12(2)28(26,27)15-7-5-14(6-8-15)16-10-21-20-19(24-16)17(11-22-20)23-18(25)9-13-3-4-13;1-11(2)29(26,27)13-5-3-12(4-6-13)14-7-21-18-17(23-14)15(8-22-18)24-19(25)16-9-20-10-28-16/h4-13H,1-3H3,(H,23,24)(H,27,28);3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,24)(H,26,27);4-12H,1-3H3,(H,22,23)(H,25,26);5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)(H,23,25);3-11H,1-2H3,(H,21,22)(H,24,25)
InChIKeyZDGJAKOCRYKSMH-UHFFFAOYSA-N
XLogP17.70
TPSA571.09 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.59
LogP ≤ 517.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide (CID 162088254) is 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCNCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC4CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cncs4)c3n2)cc1.COc1cccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.Cc1ccsc1C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZDGJAKOCRYKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S.C21H25N5O3S.C21H20N4O3S2.C20H22N4O3S.C19H17N5O3S2/c1-13(2)32(29,30)15-9-7-14(8-10-15)17-11-23-21-20(26-17)18(12-24-21)27-22(28)16-5-4-6-19(25-16)31-3;1-13(2)30(28,29)16-5-3-14(4-6-16)17-11-23-20-19(25-17)18(12-24-20)26-21(27)15-7-9-22-10-8-15;1-12(2)30(27,28)15-6-4-14(5-7-15)16-10-22-20-18(24-16)17(11-23-20)25-21(26)19-13(3)8-9-29-19;1-12(2)28(26,27)15-7-5-14(6-8-15)16-10-21-20-19(24-16)17(11-22-20)23-18(25)9-13-3-4-13;1-11(2)29(26,27)13-5-3-12(4-6-13)14-7-21-18-17(23-14)15(8-22-18)24-19(25)16-9-20-10-28-16/h4-13H,1-3H3,(H,23,24)(H,27,28);3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,24)(H,26,27);4-12H,1-3H3,(H,22,23)(H,25,26);5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)(H,23,25);3-11H,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 2145.59 g/mol, XLogP of 17.70, 27 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;3-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]piperidine-4-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162088254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).