1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C64H72BrN21O2 — CID 157801565

IUPAC1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(CCN(CC1)C2=CN=C3C(=N2)CN=C3N4C=NC5=CC=CC=C54)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3N4C=NC5=CC=CC=C54)CC6=CC=C(C=C6)OC)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3Br)CC4=CC=C(C=C4)OC)N
InChIInChI=1S/C26H28N8O.C19H23BrN6O.C19H21N7/c1-26(27)11-13-32(14-12-26)22-15-28-23-24(30-22)34(16-18-7-9-19(35-2)10-8-18)31-25(23)33-17-29-20-5-3-4-6-21(20)33;1-19(21)7-9-25(10-8-19)15-11-22-16-17(20)24-26(18(16)23-15)12-13-3-5-14(27-2)6-4-13;1-19(20)6-8-25(9-7-19)16-11-21-17-14(24-16)10-22-18(17)26-12-23-13-4-2-3-5-15(13)26/h3-10,15,17H,11-14,16,27H2,1-2H3;3-6,11H,7-10,12,21H2,1-2H3;2-5,11-12H,6-10,20H2,1H3
InChIKeyDGSBODVIRSDNBD-UHFFFAOYSA-N
MW1247.30 g/mol
LogP—
Rot. Bonds11

About 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 157801565) has the molecular formula C64H72BrN21O2 and a molecular weight of 1247.30 g/mol. Its IUPAC name is 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID157801565
Molecular FormulaC64H72BrN21O2
Molecular Weight1247.30 g/mol
Exact Mass1245.54
IUPAC Name1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(CCN(CC1)C2=CN=C3C(=N2)CN=C3N4C=NC5=CC=CC=C54)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3N4C=NC5=CC=CC=C54)CC6=CC=C(C=C6)OC)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3Br)CC4=CC=C(C=C4)OC)N
InChIInChI=1S/C26H28N8O.C19H23BrN6O.C19H21N7/c1-26(27)11-13-32(14-12-26)22-15-28-23-24(30-22)34(16-18-7-9-19(35-2)10-8-18)31-25(23)33-17-29-20-5-3-4-6-21(20)33;1-19(21)7-9-25(10-8-19)15-11-22-16-17(20)24-26(18(16)23-15)12-13-3-5-14(27-2)6-4-13;1-19(20)6-8-25(9-7-19)16-11-21-17-14(24-16)10-22-18(17)26-12-23-13-4-2-3-5-15(13)26/h3-10,15,17H,11-14,16,27H2,1-2H3;3-6,11H,7-10,12,21H2,1-2H3;2-5,11-12H,6-10,20H2,1H3
InChIKeyDGSBODVIRSDNBD-UHFFFAOYSA-N
XLogP—
TPSA267.00 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms88
Complexity1760

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 157801565) is 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(CCN(CC1)C2=CN=C3C(=N2)CN=C3N4C=NC5=CC=CC=C54)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3N4C=NC5=CC=CC=C54)CC6=CC=C(C=C6)OC)N.CC1(CCN(CC1)C2=CN=C3C(=N2)N(N=C3Br)CC4=CC=C(C=C4)OC)N.
What is the InChIKey of 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is DGSBODVIRSDNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O.C19H23BrN6O.C19H21N7/c1-26(27)11-13-32(14-12-26)22-15-28-23-24(30-22)34(16-18-7-9-19(35-2)10-8-18)31-25(23)33-17-29-20-5-3-4-6-21(20)33;1-19(21)7-9-25(10-8-19)15-11-22-16-17(20)24-26(18(16)23-15)12-13-3-5-14(27-2)6-4-13;1-19(20)6-8-25(9-7-19)16-11-21-17-14(24-16)10-22-18(17)26-12-23-13-4-2-3-5-15(13)26/h3-10,15,17H,11-14,16,27H2,1-2H3;3-6,11H,7-10,12,21H2,1-2H3;2-5,11-12H,6-10,20H2,1H3.
What are the key properties of 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 1247.30 g/mol, XLogP of not available, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 157801565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).