3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide

C49H64N16O3 — CID 159233944

About 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide

3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide (PubChem CID 159233944) has the molecular formula C49H64N16O3 and a molecular weight of 925.16 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide
• PubChem CID: 159233944
• Molecular Formula: C49H64N16O3
• Molecular Weight: 925.16 g/mol
• Exact Mass: 924.53
• IUPAC Name: 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide
• SMILES: CC1(CN)CCN(c2nc3c(nc2C(N)=O)C(N2CCCc4ncccc42)=NC3)CC1.CCC1(C)CCN(c2nc3c(nc2C(N)=O)c(N2CCCc4ncccc42)nn3C2CCCCO2)CC1
• InChI: InChI=1S/C27H36N8O2.C22H28N8O/c1-3-27(2)11-15-33(16-12-27)24-21(23(28)36)30-22-25(31-24)35(20-10-4-5-17-37-20)32-26(22)34-14-7-8-18-19(34)9-6-13-29-18;1-22(13-23)6-10-29(11-7-22)21-18(19(24)31)28-17-15(27-21)12-26-20(17)30-9-3-4-14-16(30)5-2-8-25-14/h6,9,13,20H,3-5,7-8,10-12,14-17H2,1-2H3,(H2,28,36);2,5,8H,3-4,6-7,9-13,23H2,1H3,(H2,24,31)
• InChIKey: KTFWITMGJBKSNT-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 241.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.16
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide?

The IUPAC name of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide (CID 159233944) is 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide.

What is the SMILES notation for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide?

The canonical SMILES for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide is CC1(CN)CCN(c2nc3c(nc2C(N)=O)C(N2CCCc4ncccc42)=NC3)CC1.CCC1(C)CCN(c2nc3c(nc2C(N)=O)c(N2CCCc4ncccc42)nn3C2CCCCO2)CC1.

What is the InChIKey of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide?

The InChIKey is KTFWITMGJBKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O2.C22H28N8O/c1-3-27(2)11-15-33(16-12-27)24-21(23(28)36)30-22-25(31-24)35(20-10-4-5-17-37-20)32-26(22)34-14-7-8-18-19(34)9-6-13-29-18;1-22(13-23)6-10-29(11-7-22)21-18(19(24)31)28-17-15(27-21)12-26-20(17)30-9-3-4-14-16(30)5-2-8-25-14/h6,9,13,20H,3-5,7-8,10-12,14-17H2,1-2H3,(H2,28,36);2,5,8H,3-4,6-7,9-13,23H2,1H3,(H2,24,31).

What are the key properties of 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide?

3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide has a molecular weight of 925.16 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazine-2-carboxamide;3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-ethyl-4-methylpiperidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazine-5-carboxamide is sourced from PubChem (CID 159233944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).