N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine

C92H100BrCl2IN34O4 — CID 158614017

About N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 158614017) has the molecular formula C92H100BrCl2IN34O4 and a molecular weight of 2023.76 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine
• PubChem CID: 158614017
• Molecular Formula: C92H100BrCl2IN34O4
• Molecular Weight: 2023.76 g/mol
• Exact Mass: 2020.63
• IUPAC Name: N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine
• SMILES: CN(c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1)c1ncccc1CCN.CN(c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1)c1ncccc1Br.CNc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.Clc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
• InChI: InChI=1S/C24H25BrN8O.C21H23N9.C19H23N7O.C18H19ClN6O.C10H10ClIN4O/c1-31(22-16(25)7-4-12-27-22)19-15-28-21-23(29-19)33(20-10-2-3-14-34-20)30-24(21)32-13-6-8-17-18(32)9-5-11-26-17;1-29(20-14(8-9-22)5-2-11-24-20)17-13-25-18-19(26-17)27-28-21(18)30-12-4-6-15-16(30)7-3-10-23-15;1-20-15-12-22-17-18(23-15)26(16-8-2-3-11-27-16)24-19(17)25-10-5-6-13-14(25)7-4-9-21-13;19-14-11-21-16-17(22-14)25(15-7-1-2-10-26-15)23-18(16)24-9-4-5-12-13(24)6-3-8-20-12;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7/h4-5,7,9,11-12,15,20H,2-3,6,8,10,13-14H2,1H3;2-3,5,7,10-11,13H,4,6,8-9,12,22H2,1H3,(H,26,27,28);4,7,9,12,16H,2-3,5-6,8,10-11H2,1H3,(H,20,23);3,6,8,11,15H,1-2,4-5,7,9-10H2;5,7H,1-4H2
• InChIKey: HXEFZBJBJVUCNB-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 400.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.76
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine?

The IUPAC name of N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine (CID 158614017) is N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine.

What is the SMILES notation for N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine?

The canonical SMILES for N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine is CN(c1cnc2c(N3CCCc4ncccc43)n[nH]c2n1)c1ncccc1CCN.CN(c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1)c1ncccc1Br.CNc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.Clc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.

What is the InChIKey of N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine?

The InChIKey is HXEFZBJBJVUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN8O.C21H23N9.C19H23N7O.C18H19ClN6O.C10H10ClIN4O/c1-31(22-16(25)7-4-12-27-22)19-15-28-21-23(29-19)33(20-10-2-3-14-34-20)30-24(21)32-13-6-8-17-18(32)9-5-11-26-17;1-29(20-14(8-9-22)5-2-11-24-20)17-13-25-18-19(26-17)27-28-21(18)30-12-4-6-15-16(30)7-3-10-23-15;1-20-15-12-22-17-18(23-15)26(16-8-2-3-11-27-16)24-19(17)25-10-5-6-13-14(25)7-4-9-21-13;19-14-11-21-16-17(22-14)25(15-7-1-2-10-26-15)23-18(16)24-9-4-5-12-13(24)6-3-8-20-12;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7/h4-5,7,9,11-12,15,20H,2-3,6,8,10,13-14H2,1H3;2-3,5,7,10-11,13H,4,6,8-9,12,22H2,1H3,(H,26,27,28);4,7,9,12,16H,2-3,5-6,8,10-11H2,1H3,(H,20,23);3,6,8,11,15H,1-2,4-5,7,9-10H2;5,7H,1-4H2.

What are the key properties of N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine?

N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 2023.76 g/mol, XLogP of 16.91, 15 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-aminoethyl)-2-pyridinyl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine;N-(3-bromo-2-pyridinyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine;6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 158614017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).