[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid

C24H22F5N5O3 — CID 127024837

About [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid

[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 127024837) has the molecular formula C24H22F5N5O3 and a molecular weight of 523.46 g/mol. Its IUPAC name is [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 127024837
• Molecular Formula: C24H22F5N5O3
• Molecular Weight: 523.46 g/mol
• Exact Mass: 523.16
• IUPAC Name: [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1c(F)cccc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
• InChI: InChI=1S/C22H21F2N5O.C2HF3O2/c23-15-2-1-3-16(24)19(15)20(30)13-7-10-29(11-8-13)22-21(26-14-4-5-14)27-17-6-9-25-12-18(17)28-22;3-2(4,5)1(6)7/h1-3,6,9,12-14H,4-5,7-8,10-11H2,(H,26,27);(H,6,7)
• InChIKey: PMFHFFDKGIKTKF-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 108.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.46
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid (CID 127024837) is [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1c(F)cccc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1.

What is the InChIKey of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is PMFHFFDKGIKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O.C2HF3O2/c23-15-2-1-3-16(24)19(15)20(30)13-7-10-29(11-8-13)22-21(26-14-4-5-14)27-17-6-9-25-12-18(17)28-22;3-2(4,5)1(6)7/h1-3,6,9,12-14H,4-5,7-8,10-11H2,(H,26,27);(H,6,7).

What are the key properties of [1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid?

[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 523.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127024837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).