3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole

C26H32FN5O2 — CID 10412191

IUPAC3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(N3CCN4C[C@H](COc5ccc(CN6CCCC6)cn5)CC[C@H]4C3)c2c1
InChIInChI=1S/C26H32FN5O2/c27-21-5-7-24-23(13-21)26(29-34-24)32-12-11-31-16-20(3-6-22(31)17-32)18-33-25-8-4-19(14-28-25)15-30-9-1-2-10-30/h4-5,7-8,13-14,20,22H,1-3,6,9-12,15-18H2/t20-,22+/m1/s1
InChIKeyRUSYPASPYXFXQW-IRLDBZIGSA-N
MW465.57 g/mol
LogP3.94
Rot. Bonds6

About 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole

3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole (PubChem CID 10412191) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole
PubChem CID10412191
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(N3CCN4C[C@H](COc5ccc(CN6CCCC6)cn5)CC[C@H]4C3)c2c1
InChIInChI=1S/C26H32FN5O2/c27-21-5-7-24-23(13-21)26(29-34-24)32-12-11-31-16-20(3-6-22(31)17-32)18-33-25-8-4-19(14-28-25)15-30-9-1-2-10-30/h4-5,7-8,13-14,20,22H,1-3,6,9-12,15-18H2/t20-,22+/m1/s1
InChIKeyRUSYPASPYXFXQW-IRLDBZIGSA-N
XLogP3.94
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole?
The IUPAC name of 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole (CID 10412191) is 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole is Fc1ccc2onc(N3CCN4C[C@H](COc5ccc(CN6CCCC6)cn5)CC[C@H]4C3)c2c1.
What is the InChIKey of 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole?
The InChIKey is RUSYPASPYXFXQW-IRLDBZIGSA-N. The full InChI is InChI=1S/C26H32FN5O2/c27-21-5-7-24-23(13-21)26(29-34-24)32-12-11-31-16-20(3-6-22(31)17-32)18-33-25-8-4-19(14-28-25)15-30-9-1-2-10-30/h4-5,7-8,13-14,20,22H,1-3,6,9-12,15-18H2/t20-,22+/m1/s1.
What are the key properties of 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole?
3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole has a molecular weight of 465.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7R,9aS)-7-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-1,2-benzoxazole is sourced from PubChem (CID 10412191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).