[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C20H27N5O2 — CID 129338665

About [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 129338665) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
• PubChem CID: 129338665
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
• SMILES: Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C20H27N5O2/c1-14-18(15(2)23(3)22-14)20(26)25-12-8-16(13-25)27-17-7-6-9-21-19(17)24-10-4-5-11-24/h6-7,9,16H,4-5,8,10-13H2,1-3H3/t16-/m0/s1
• InChIKey: UUECXOOKDGTTFX-INIZCTEOSA-N
• XLogP: 2.33
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?

The IUPAC name of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 129338665) is [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

What is the SMILES notation for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?

The canonical SMILES for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?

The InChIKey is UUECXOOKDGTTFX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(15(2)23(3)22-14)20(26)25-12-8-16(13-25)27-17-7-6-9-21-19(17)24-10-4-5-11-24/h6-7,9,16H,4-5,8,10-13H2,1-3H3/t16-/m0/s1.

What are the key properties of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?

[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 129338665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).