3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine

C61H75BrN18O — CID 157279708

About 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine

3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 157279708) has the molecular formula C61H75BrN18O and a molecular weight of 1156.30 g/mol. Its IUPAC name is 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

• Compound Name: 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine
• PubChem CID: 157279708
• Molecular Formula: C61H75BrN18O
• Molecular Weight: 1156.30 g/mol
• Exact Mass: 1154.56
• IUPAC Name: 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine
• SMILES: CC1(CN)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)C1.CCC1(C)CCN(c2cnc3c(Br)nn(Cc4ccc(OC)cc4)c3n2)C1.CCC1(C)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)C1
• InChI: InChI=1S/C21H26N6.C20H24BrN5O.C20H25N7/c1-3-21(2)8-11-26(14-21)18-13-23-19-16(25-18)12-24-20(19)27-10-5-6-15-17(27)7-4-9-22-15;1-4-20(2)9-10-25(13-20)16-11-22-17-18(21)24-26(19(17)23-16)12-14-5-7-15(27-3)8-6-14;1-20(12-21)6-9-26(13-20)17-11-23-18-15(25-17)10-24-19(18)27-8-3-4-14-16(27)5-2-7-22-14/h4,7,9,13H,3,5-6,8,10-12,14H2,1-2H3;5-8,11H,4,9-10,12-13H2,1-3H3;2,5,7,11H,3-4,6,8-10,12-13,21H2,1H3
• InChIKey: AZNFEIYQWZKGSD-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 197.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.30
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine?

The IUPAC name of 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine (CID 157279708) is 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine.

What is the SMILES notation for 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine?

The canonical SMILES for 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine is CC1(CN)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)C1.CCC1(C)CCN(c2cnc3c(Br)nn(Cc4ccc(OC)cc4)c3n2)C1.CCC1(C)CCN(c2cnc3c(n2)CN=C3N2CCCc3ncccc32)C1.

What is the InChIKey of 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine?

The InChIKey is AZNFEIYQWZKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6.C20H24BrN5O.C20H25N7/c1-3-21(2)8-11-26(14-21)18-13-23-19-16(25-18)12-24-20(19)27-10-5-6-15-17(27)7-4-9-22-15;1-4-20(2)9-10-25(13-20)16-11-22-17-18(21)24-26(19(17)23-16)12-14-5-7-15(27-3)8-6-14;1-20(12-21)6-9-26(13-20)17-11-23-18-15(25-17)10-24-19(18)27-8-3-4-14-16(27)5-2-7-22-14/h4,7,9,13H,3,5-6,8,10-12,14H2,1-2H3;5-8,11H,4,9-10,12-13H2,1-3H3;2,5,7,11H,3-4,6,8-10,12-13,21H2,1H3.

What are the key properties of 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine?

3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 1156.30 g/mol, XLogP of 9.24, 9 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-(3-ethyl-3-methylpyrrolidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;[1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methylpyrrolidin-3-yl]methanamine;1-[3-(3-ethyl-3-methylpyrrolidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 157279708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).