4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane

C92H114Cl9N31O7 — CID 161041724

About 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane

4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane (PubChem CID 161041724) has the molecular formula C92H114Cl9N31O7 and a molecular weight of 2085.21 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane.

Molecular Properties

• Compound Name: 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane
• PubChem CID: 161041724
• Molecular Formula: C92H114Cl9N31O7
• Molecular Weight: 2085.21 g/mol
• Exact Mass: 2079.67
• IUPAC Name: 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane
• SMILES: C.C.C.C.C.CC1(CN)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(C(N)=O)c2Cl)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1.C[C@H]1C[C@H](N)CCN1c1cnc2c(n1)CN=C2Oc1ccnc(Cl)c1Cl.NCC1(O)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1
• InChI: InChI=1S/C18H20Cl2N6O.C18H20ClN7O2.C17H18Cl2N6O2.2C17H18Cl2N6O.5CH4/c1-18(10-21)3-6-26(7-4-18)13-9-23-15-11(25-13)8-24-17(15)27-12-2-5-22-16(20)14(12)19;1-18(21)3-6-26(7-4-18)12-9-23-14-10(25-12)8-24-17(14)28-11-2-5-22-15(13(11)19)16(20)27;18-13-11(1-4-21-15(13)19)27-16-14-10(7-23-16)24-12(8-22-14)25-5-2-17(26,9-20)3-6-25;1-17(20)3-6-25(7-4-17)12-9-22-14-10(24-12)8-23-16(14)26-11-2-5-21-15(19)13(11)18;1-9-6-10(20)3-5-25(9)13-8-22-15-11(24-13)7-23-17(15)26-12-2-4-21-16(19)14(12)18;;;;;/h2,5,9H,3-4,6-8,10,21H2,1H3;2,5,9H,3-4,6-8,21H2,1H3,(H2,20,27);1,4,8,26H,2-3,5-7,9,20H2;2,5,9H,3-4,6-8,20H2,1H3;2,4,8-10H,3,5-7,20H2,1H3;5*1H4/t;;;;9-,10+;;;;;/m....0...../s1
• InChIKey: UAYVKDBIESHCJI-WXFCALNQSA-N
• XLogP: 15.02
• TPSA: 510.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.21
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane?

The IUPAC name of 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane (CID 161041724) is 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane.

What is the SMILES notation for 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane?

The canonical SMILES for 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane is C.C.C.C.C.CC1(CN)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(C(N)=O)c2Cl)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1.C[C@H]1C[C@H](N)CCN1c1cnc2c(n1)CN=C2Oc1ccnc(Cl)c1Cl.NCC1(O)CCN(c2cnc3c(n2)CN=C3Oc2ccnc(Cl)c2Cl)CC1.

What is the InChIKey of 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane?

The InChIKey is UAYVKDBIESHCJI-WXFCALNQSA-N. The full InChI is InChI=1S/C18H20Cl2N6O.C18H20ClN7O2.C17H18Cl2N6O2.2C17H18Cl2N6O.5CH4/c1-18(10-21)3-6-26(7-4-18)13-9-23-15-11(25-13)8-24-17(15)27-12-2-5-22-16(20)14(12)19;1-18(21)3-6-26(7-4-18)12-9-23-14-10(25-12)8-24-17(14)28-11-2-5-22-15(13(11)19)16(20)27;18-13-11(1-4-21-15(13)19)27-16-14-10(7-23-16)24-12(8-22-14)25-5-2-17(26,9-20)3-6-25;1-17(20)3-6-25(7-4-17)12-9-22-14-10(24-12)8-23-16(14)26-11-2-5-21-15(19)13(11)18;1-9-6-10(20)3-5-25(9)13-8-22-15-11(24-13)7-23-17(15)26-12-2-4-21-16(19)14(12)18;;;;;/h2,5,9H,3-4,6-8,10,21H2,1H3;2,5,9H,3-4,6-8,21H2,1H3,(H2,20,27);1,4,8,26H,2-3,5-7,9,20H2;2,5,9H,3-4,6-8,20H2,1H3;2,4,8-10H,3,5-7,20H2,1H3;5*1H4/t;;;;9-,10+;;;;;/m....0...../s1.

What are the key properties of 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane?

4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane has a molecular weight of 2085.21 g/mol, XLogP of 15.02, 13 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;4-[[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloropyridine-2-carboxamide;1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;(2S,4R)-1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;[1-[7-[(2,3-dichloro-4-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;methane is sourced from PubChem (CID 161041724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).