3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H25FN6O — CID 146635627

About 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 146635627) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 146635627
• Molecular Formula: C20H25FN6O
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.21
• IUPAC Name: 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• SMILES: CC(C)C1=NC2(CCNCC2)C(=O)N1C(C)c1ccc(-n2cc(F)cn2)nc1
• InChI: InChI=1S/C20H25FN6O/c1-13(2)18-25-20(6-8-22-9-7-20)19(28)27(18)14(3)15-4-5-17(23-10-15)26-12-16(21)11-24-26/h4-5,10-14,22H,6-9H2,1-3H3
• InChIKey: LTFLNUDLCZGGHJ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 75.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The IUPAC name of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 146635627) is 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

What is the SMILES notation for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The canonical SMILES for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)C1=NC2(CCNCC2)C(=O)N1C(C)c1ccc(-n2cc(F)cn2)nc1.

What is the InChIKey of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The InChIKey is LTFLNUDLCZGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-13(2)18-25-20(6-8-22-9-7-20)19(28)27(18)14(3)15-4-5-17(23-10-15)26-12-16(21)11-24-26/h4-5,10-14,22H,6-9H2,1-3H3.

What are the key properties of 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 146635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).