4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide

C100H106N22O13S5 — CID 158804255

IUPAC4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CCC(N)CC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CC[C@H](N)C5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C27H30N6O3S.2C26H28N6O3S.C21H20N4O4S2/c1-17(2)37(35,36)22-9-5-18(6-10-22)23-15-29-26-25(31-23)24(16-30-26)32-27(34)19-3-7-21(8-4-19)33-13-11-20(28)12-14-33;1-16(2)36(34,35)21-9-5-17(6-10-21)22-13-28-25-24(30-22)23(14-29-25)31-26(33)18-3-7-20(8-4-18)32-12-11-19(27)15-32;1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21;1-14(2)30(26,27)16-10-8-15(9-11-16)18-12-22-21-20(24-18)19(13-23-21)25-31(28,29)17-6-4-3-5-7-17/h3-10,15-17,20H,11-14,28H2,1-2H3,(H,29,30)(H,32,34);3-10,13-14,16,19H,11-12,15,27H2,1-2H3,(H,28,29)(H,31,33);3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33);3-14,25H,1-2H3,(H,22,23)/t;19-;;/m.0../s1
InChIKeyITWGCISTOUGIDS-ZHTZPMDJSA-N
MW1984.42 g/mol
LogP14.48
Rot. Bonds24

About 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide

4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide (PubChem CID 158804255) has the molecular formula C100H106N22O13S5 and a molecular weight of 1984.42 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide
PubChem CID158804255
Molecular FormulaC100H106N22O13S5
Molecular Weight1984.42 g/mol
Exact Mass1982.69
IUPAC Name4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CCC(N)CC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CC[C@H](N)C5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C27H30N6O3S.2C26H28N6O3S.C21H20N4O4S2/c1-17(2)37(35,36)22-9-5-18(6-10-22)23-15-29-26-25(31-23)24(16-30-26)32-27(34)19-3-7-21(8-4-19)33-13-11-20(28)12-14-33;1-16(2)36(34,35)21-9-5-17(6-10-21)22-13-28-25-24(30-22)23(14-29-25)31-26(33)18-3-7-20(8-4-18)32-12-11-19(27)15-32;1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21;1-14(2)30(26,27)16-10-8-15(9-11-16)18-12-22-21-20(24-18)19(13-23-21)25-31(28,29)17-6-4-3-5-7-17/h3-10,15-17,20H,11-14,28H2,1-2H3,(H,29,30)(H,32,34);3-10,13-14,16,19H,11-12,15,27H2,1-2H3,(H,28,29)(H,31,33);3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33);3-14,25H,1-2H3,(H,22,23)/t;19-;;/m.0../s1
InChIKeyITWGCISTOUGIDS-ZHTZPMDJSA-N
XLogP14.48
TPSA518.89 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.42
LogP ≤ 514.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide (CID 158804255) is 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CCC(N)CC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CC[C@H](N)C5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3n2)cc1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide?
The InChIKey is ITWGCISTOUGIDS-ZHTZPMDJSA-N. The full InChI is InChI=1S/C27H30N6O3S.2C26H28N6O3S.C21H20N4O4S2/c1-17(2)37(35,36)22-9-5-18(6-10-22)23-15-29-26-25(31-23)24(16-30-26)32-27(34)19-3-7-21(8-4-19)33-13-11-20(28)12-14-33;1-16(2)36(34,35)21-9-5-17(6-10-21)22-13-28-25-24(30-22)23(14-29-25)31-26(33)18-3-7-20(8-4-18)32-12-11-19(27)15-32;1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21;1-14(2)30(26,27)16-10-8-15(9-11-16)18-12-22-21-20(24-18)19(13-23-21)25-31(28,29)17-6-4-3-5-7-17/h3-10,15-17,20H,11-14,28H2,1-2H3,(H,29,30)(H,32,34);3-10,13-14,16,19H,11-12,15,27H2,1-2H3,(H,28,29)(H,31,33);3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33);3-14,25H,1-2H3,(H,22,23)/t;19-;;/m.0../s1.
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide?
4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide has a molecular weight of 1984.42 g/mol, XLogP of 14.48, 24 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3S)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide is sourced from PubChem (CID 158804255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).