[4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C93H109Cl5N30O3 — CID 161484010

About [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

[4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 161484010) has the molecular formula C93H109Cl5N30O3 and a molecular weight of 1872.37 g/mol. Its IUPAC name is [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 161484010
• Molecular Formula: C93H109Cl5N30O3
• Molecular Weight: 1872.37 g/mol
• Exact Mass: 1868.77
• IUPAC Name: [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: Cc1cc(C2=NCc3nc(N4CCC(C)(CN)CC4)cnc32)c(Cl)cn1.Cc1nccc(C2=NCc3nc(N4CCC(C)(N)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC(N)(CO)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC(O)(CN)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC5(CC4)COC[C@H]5N)cnc32)c1Cl
• InChI: InChI=1S/C20H23ClN6O.C19H23ClN6.2C18H21ClN6O.C18H21ClN6/c1-12-17(21)13(2-5-23-12)18-19-14(8-24-18)26-16(9-25-19)27-6-3-20(4-7-27)11-28-10-15(20)22;1-12-7-13(14(20)8-22-12)17-18-15(9-23-17)25-16(10-24-18)26-5-3-19(2,11-21)4-6-26;1-11-15(19)12(2-5-21-11)16-17-13(8-22-16)24-14(9-23-17)25-6-3-18(20,10-26)4-7-25;1-11-15(19)12(2-5-21-11)16-17-13(8-22-16)24-14(9-23-17)25-6-3-18(26,10-20)4-7-25;1-11-15(19)12(3-6-21-11)16-17-13(9-22-16)24-14(10-23-17)25-7-4-18(2,20)5-8-25/h2,5,9,15H,3-4,6-8,10-11,22H2,1H3;7-8,10H,3-6,9,11,21H2,1-2H3;2*2,5,9,26H,3-4,6-8,10,20H2,1H3;3,6,10H,4-5,7-9,20H2,1-2H3/t15-;;;;/m1..../s1
• InChIKey: WESWDADFQCSLOU-FKOXPEIHSA-N
• XLogP: 10.33
• TPSA: 451.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.37
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 161484010) is [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1cc(C2=NCc3nc(N4CCC(C)(CN)CC4)cnc32)c(Cl)cn1.Cc1nccc(C2=NCc3nc(N4CCC(C)(N)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC(N)(CO)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC(O)(CN)CC4)cnc32)c1Cl.Cc1nccc(C2=NCc3nc(N4CCC5(CC4)COC[C@H]5N)cnc32)c1Cl.

What is the InChIKey of [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is WESWDADFQCSLOU-FKOXPEIHSA-N. The full InChI is InChI=1S/C20H23ClN6O.C19H23ClN6.2C18H21ClN6O.C18H21ClN6/c1-12-17(21)13(2-5-23-12)18-19-14(8-24-18)26-16(9-25-19)27-6-3-20(4-7-27)11-28-10-15(20)22;1-12-7-13(14(20)8-22-12)17-18-15(9-23-17)25-16(10-24-18)26-5-3-19(2,11-21)4-6-26;1-11-15(19)12(2-5-21-11)16-17-13(8-22-16)24-14(9-23-17)25-6-3-18(20,10-26)4-7-25;1-11-15(19)12(2-5-21-11)16-17-13(8-22-16)24-14(9-23-17)25-6-3-18(26,10-20)4-7-25;1-11-15(19)12(3-6-21-11)16-17-13(9-22-16)24-14(10-23-17)25-7-4-18(2,20)5-8-25/h2,5,9,15H,3-4,6-8,10-11,22H2,1H3;7-8,10H,3-6,9,11,21H2,1-2H3;2*2,5,9,26H,3-4,6-8,10,20H2,1H3;3,6,10H,4-5,7-9,20H2,1-2H3/t15-;;;;/m1..../s1.

What are the key properties of [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

[4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1872.37 g/mol, XLogP of 10.33, 13 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;4-(aminomethyl)-1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-ol;1-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;[1-[7-(5-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-yl]methanamine;(4S)-8-[7-(3-chloro-2-methyl-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 161484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).