[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine

C₄₃H₅₀F₃N₁₁O₂ — CID 118308605

About [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine

[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308605) has the molecular formula C₄₃H₅₀F₃N₁₁O₂ and a molecular weight of 809.94 g/mol. Its IUPAC name is [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

• Compound Name: [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
• PubChem CID: 118308605
• Molecular Formula: C₄₃H₅₀F₃N₁₁O₂
• Molecular Weight: 809.94 g/mol
• Exact Mass: 809.41
• IUPAC Name: [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
• SMILES: COC1CN(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)C1.Cc1cc2nc(NC3CC3)c(N3CCC(C(F)c4cc(F)ccc4F)CC3)nc2cn1
• InChI: InChI=1S/C23H24F3N5.C20H26N6O2/c1-13-10-19-20(12-27-13)30-23(22(29-19)28-16-3-4-16)31-8-6-14(7-9-31)21(26)17-11-15(24)2-5-18(17)25;1-28-15-11-26(12-15)20(27)13-5-8-25(9-6-13)19-18(22-14-2-3-14)23-16-4-7-21-10-17(16)24-19/h2,5,10-12,14,16,21H,3-4,6-9H2,1H3,(H,28,29);4,7,10,13-15H,2-3,5-6,8-9,11-12H2,1H3,(H,22,23)
• InChIKey: LIRDQRQZDXWXAZ-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 137.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	809.94
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?

The IUPAC name of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine (CID 118308605) is [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine.

What is the SMILES notation for [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?

The canonical SMILES for [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine is COC1CN(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)C1.Cc1cc2nc(NC3CC3)c(N3CCC(C(F)c4cc(F)ccc4F)CC3)nc2cn1.

What is the InChIKey of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?

The InChIKey is LIRDQRQZDXWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5.C20H26N6O2/c1-13-10-19-20(12-27-13)30-23(22(29-19)28-16-3-4-16)31-8-6-14(7-9-31)21(26)17-11-15(24)2-5-18(17)25;1-28-15-11-26(12-15)20(27)13-5-8-25(9-6-13)19-18(22-14-2-3-14)23-16-4-7-21-10-17(16)24-19/h2,5,10-12,14,16,21H,3-4,6-9H2,1H3,(H,28,29);4,7,10,13-15H,2-3,5-6,8-9,11-12H2,1H3,(H,22,23).

What are the key properties of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine?

[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 809.94 g/mol, XLogP of 6.79, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118308605 — identifiers, structure, computed properties (public domain)

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