N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C60H82N18O7 — CID 122673905

About N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 122673905) has the molecular formula C60H82N18O7 and a molecular weight of 1167.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 122673905
• Molecular Formula: C60H82N18O7
• Molecular Weight: 1167.43 g/mol
• Exact Mass: 1166.66
• IUPAC Name: N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NCC(C)(C)C)c3n2)CC1C.C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NCC4CCCC4)c3n2)CC1.C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NCCOC)c3n2)CC1(C)C
• InChI: InChI=1S/C21H30N6O2.C20H26N6O2.C19H26N6O3/c1-6-17(28)27-8-7-14(9-13(27)2)25-16-11-23-19-18(26-16)15(10-22-19)20(29)24-12-21(3,4)5;1-2-17(27)26-9-7-25(8-10-26)16-13-22-19-18(24-16)15(12-21-19)20(28)23-11-14-5-3-4-6-14;1-5-15(26)25-8-7-24(12-19(25,2)3)14-11-22-17-16(23-14)13(10-21-17)18(27)20-6-9-28-4/h6,10-11,13-14H,1,7-9,12H2,2-5H3,(H,22,23)(H,24,29)(H,25,26);2,12-14H,1,3-11H2,(H,21,22)(H,23,28);5,10-11H,1,6-9,12H2,2-4H3,(H,20,27)(H,21,22)
• InChIKey: KQFPUNZYQZBGBR-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 300.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1167.43
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 122673905) is N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NCC(C)(C)C)c3n2)CC1C.C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NCC4CCCC4)c3n2)CC1.C=CC(=O)N1CCN(c2cnc3[nH]cc(C(=O)NCCOC)c3n2)CC1(C)C.

What is the InChIKey of N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is KQFPUNZYQZBGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.C20H26N6O2.C19H26N6O3/c1-6-17(28)27-8-7-14(9-13(27)2)25-16-11-23-19-18(26-16)15(10-22-19)20(29)24-12-21(3,4)5;1-2-17(27)26-9-7-25(8-10-26)16-13-22-19-18(24-16)15(12-21-19)20(28)23-11-14-5-3-4-6-14;1-5-15(26)25-8-7-24(12-19(25,2)3)14-11-22-17-16(23-14)13(10-21-17)18(27)20-6-9-28-4/h6,10-11,13-14H,1,7-9,12H2,2-5H3,(H,22,23)(H,24,29)(H,25,26);2,12-14H,1,3-11H2,(H,21,22)(H,23,28);5,10-11H,1,6-9,12H2,2-4H3,(H,20,27)(H,21,22).

What are the key properties of N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1167.43 g/mol, XLogP of 5.37, 16 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylmethyl)-2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3,3-dimethyl-4-prop-2-enoylpiperazin-1-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,2-dimethylpropyl)-2-[(2-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122673905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).