[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

C20H28FN7O — CID 154754441

About [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 154754441) has the molecular formula C20H28FN7O and a molecular weight of 401.49 g/mol. Its IUPAC name is [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 154754441
• Molecular Formula: C20H28FN7O
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.23
• IUPAC Name: [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CCc1ncnc(NCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1F
• InChI: InChI=1S/C20H28FN7O/c1-3-16-18(21)19(24-13-23-16)22-11-14-4-5-28-17(10-14)15(12-25-28)20(29)27-8-6-26(2)7-9-27/h12-14H,3-11H2,1-2H3,(H,22,23,24)
• InChIKey: ZHDJNKOOURYOJX-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 154754441) is [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is CCc1ncnc(NCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1F.

What is the InChIKey of [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is ZHDJNKOOURYOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN7O/c1-3-16-18(21)19(24-13-23-16)22-11-14-4-5-28-17(10-14)15(12-25-28)20(29)27-8-6-26(2)7-9-27/h12-14H,3-11H2,1-2H3,(H,22,23,24).

What are the key properties of [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?

[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 401.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 154754441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).