[4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride

C75H100Cl3I2N23O6 — CID 159954400

About [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride

[4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride (PubChem CID 159954400) has the molecular formula C75H100Cl3I2N23O6 and a molecular weight of 1779.95 g/mol. Its IUPAC name is [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride.

Molecular Properties

• Compound Name: [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride
• PubChem CID: 159954400
• Molecular Formula: C75H100Cl3I2N23O6
• Molecular Weight: 1779.95 g/mol
• Exact Mass: 1777.54
• IUPAC Name: [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride
• SMILES: CCC1(CO)CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)CC1.CCC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.Cl.Cl.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.NCC1(CO)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1
• InChI: InChI=1S/C26H35N7O2.C21H27N7O.C18H26IN5O2.C10H10ClIN4O.2ClH/c1-2-26(18-34)10-14-31(15-11-26)21-17-28-23-24(29-21)33(22-9-3-4-16-35-22)30-25(23)32-13-6-7-19-20(32)8-5-12-27-19;22-13-21(14-29)5-9-27(10-6-21)18-12-24-19-16(26-18)11-25-20(19)28-8-2-3-15-17(28)4-1-7-23-15;1-2-18(12-25)6-8-23(9-7-18)13-11-20-15-16(19)22-24(17(15)21-13)14-5-3-4-10-26-14;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7;;/h5,8,12,17,22,34H,2-4,6-7,9-11,13-16,18H2,1H3;1,4,7,12,29H,2-3,5-6,8-11,13-14,22H2;11,14,25H,2-10,12H2,1H3;5,7H,1-4H2;2*1H
• InChIKey: PWSAZTNRFNORJX-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 325.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.95
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride?

The IUPAC name of [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride (CID 159954400) is [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride.

What is the SMILES notation for [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride?

The canonical SMILES for [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride is CCC1(CO)CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)CC1.CCC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.Cl.Cl.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.NCC1(CO)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)CC1.

What is the InChIKey of [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride?

The InChIKey is PWSAZTNRFNORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2.C21H27N7O.C18H26IN5O2.C10H10ClIN4O.2ClH/c1-2-26(18-34)10-14-31(15-11-26)21-17-28-23-24(29-21)33(22-9-3-4-16-35-22)30-25(23)32-13-6-7-19-20(32)8-5-12-27-19;22-13-21(14-29)5-9-27(10-6-21)18-12-24-19-16(26-18)11-25-20(19)28-8-2-3-15-17(28)4-1-7-23-15;1-2-18(12-25)6-8-23(9-7-18)13-11-20-15-16(19)22-24(17(15)21-13)14-5-3-4-10-26-14;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7;;/h5,8,12,17,22,34H,2-4,6-7,9-11,13-16,18H2,1H3;1,4,7,12,29H,2-3,5-6,8-11,13-14,22H2;11,14,25H,2-10,12H2,1H3;5,7H,1-4H2;2*1H.

What are the key properties of [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride?

[4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride has a molecular weight of 1779.95 g/mol, XLogP of 11.86, 13 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanol;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-yl]methanol;[4-ethyl-1-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;dihydrochloride is sourced from PubChem (CID 159954400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).