4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C19H23FN6O2 — CID 146635785

About 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 146635785) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

• Compound Name: 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
• PubChem CID: 146635785
• Molecular Formula: C19H23FN6O2
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.19
• IUPAC Name: 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
• SMILES: C[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CC(=O)N(C)C2(CCNCC2)C1=O
• InChI: InChI=1S/C19H23FN6O2/c1-13(14-3-4-16(22-9-14)26-11-15(20)10-23-26)25-12-17(27)24(2)19(18(25)28)5-7-21-8-6-19/h3-4,9-11,13,21H,5-8,12H2,1-2H3/t13-/m0/s1
• InChIKey: NVSDNWOXOCTPOP-ZDUSSCGKSA-N
• XLogP: 0.89
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?

The IUPAC name of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 146635785) is 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

What is the SMILES notation for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?

The canonical SMILES for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is C[C@@H](c1ccc(-n2cc(F)cn2)nc1)N1CC(=O)N(C)C2(CCNCC2)C1=O.

What is the InChIKey of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?

The InChIKey is NVSDNWOXOCTPOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-13(14-3-4-16(22-9-14)26-11-15(20)10-23-26)25-12-17(27)24(2)19(18(25)28)5-7-21-8-6-19/h3-4,9-11,13,21H,5-8,12H2,1-2H3/t13-/m0/s1.

What are the key properties of 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?

4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 386.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 146635785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).