1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane

C124H167N21O14 — CID 159401565

About 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane

1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane (PubChem CID 159401565) has the molecular formula C124H167N21O14 and a molecular weight of 2175.83 g/mol. Its IUPAC name is 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane.

Molecular Properties

• Compound Name: 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane
• PubChem CID: 159401565
• Molecular Formula: C124H167N21O14
• Molecular Weight: 2175.83 g/mol
• Exact Mass: 2174.30
• IUPAC Name: 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane
• SMILES: C.C.C.C.C.C.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CC4)c3c2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CC4)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CCC4)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)OCC)c3c2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)OCC)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(COC)C4CC4)c3c2)CC1
• InChI: InChI=1S/C22H29N3O2.C20H24N4O2.C20H23N3O2.C19H22N4O2.C19H23N3O3.C18H22N4O3.6CH4/c1-3-21(26)25-8-6-15(7-9-25)10-16-11-18-19(13-24-22(18)23-12-16)20(14-27-2)17-4-5-17;1-2-17(25)24-8-6-13(7-9-24)10-15-11-21-20-18(23-15)16(12-22-20)19(26)14-4-3-5-14;1-2-18(24)23-7-5-13(6-8-23)9-14-10-16-17(19(25)15-3-4-15)12-22-20(16)21-11-14;1-2-16(24)23-7-5-12(6-8-23)9-14-10-20-19-17(22-14)15(11-21-19)18(25)13-3-4-13;1-3-17(23)22-7-5-13(6-8-22)9-14-10-15-16(19(24)25-4-2)12-21-18(15)20-11-14;1-3-15(23)22-7-5-12(6-8-22)9-13-10-19-17-16(21-13)14(11-20-17)18(24)25-4-2;;;;;;/h3,11-13,15,17,20H,1,4-10,14H2,2H3,(H,23,24);2,11-14H,1,3-10H2,(H,21,22);2,10-13,15H,1,3-9H2,(H,21,22);2,10-13H,1,3-9H2,(H,20,21);3,10-13H,1,4-9H2,2H3,(H,20,21);3,10-12H,1,4-9H2,2H3,(H,19,20);6*1H4
• InChIKey: LNKDETHRCFMUOY-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 445.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.83
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane?

The IUPAC name of 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane (CID 159401565) is 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane.

What is the SMILES notation for 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane?

The canonical SMILES for 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane is C.C.C.C.C.C.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CC4)c3c2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CC4)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)C4CCC4)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)OCC)c3c2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)OCC)c3n2)CC1.C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(COC)C4CC4)c3c2)CC1.

What is the InChIKey of 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane?

The InChIKey is LNKDETHRCFMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C20H24N4O2.C20H23N3O2.C19H22N4O2.C19H23N3O3.C18H22N4O3.6CH4/c1-3-21(26)25-8-6-15(7-9-25)10-16-11-18-19(13-24-22(18)23-12-16)20(14-27-2)17-4-5-17;1-2-17(25)24-8-6-13(7-9-24)10-15-11-21-20-18(23-15)16(12-22-20)19(26)14-4-3-5-14;1-2-18(24)23-7-5-13(6-8-23)9-14-10-16-17(19(25)15-3-4-15)12-22-20(16)21-11-14;1-2-16(24)23-7-5-12(6-8-23)9-14-10-20-19-17(22-14)15(11-21-19)18(25)13-3-4-13;1-3-17(23)22-7-5-13(6-8-22)9-14-10-15-16(19(24)25-4-2)12-21-18(15)20-11-14;1-3-15(23)22-7-5-12(6-8-22)9-13-10-19-17-16(21-13)14(11-20-17)18(24)25-4-2;;;;;;/h3,11-13,15,17,20H,1,4-10,14H2,2H3,(H,23,24);2,11-14H,1,3-10H2,(H,21,22);2,10-13,15H,1,3-9H2,(H,21,22);2,10-13H,1,3-9H2,(H,20,21);3,10-13H,1,4-9H2,2H3,(H,20,21);3,10-12H,1,4-9H2,2H3,(H,19,20);6*1H4.

What are the key properties of 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane?

1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane has a molecular weight of 2175.83 g/mol, XLogP of 20.84, 32 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;1-[4-[[3-(1-cyclopropyl-2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]piperidin-1-yl]prop-2-en-1-one;ethyl 2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;methane is sourced from PubChem (CID 159401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).