2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol

C26H34FN5O3 — CID 10028254

IUPAC2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(OC[C@@H]2CC[C@H]3CN(c4noc5ccc(F)cc45)CCN3C2)n1
InChIInChI=1S/C26H34FN5O3/c1-2-30(12-13-33)16-21-4-3-5-25(28-21)34-18-19-6-8-22-17-32(11-10-31(22)15-19)26-23-14-20(27)7-9-24(23)35-29-26/h3-5,7,9,14,19,22,33H,2,6,8,10-13,15-18H2,1H3/t19-,22+/m1/s1
InChIKeyNGUJXBGCQFUJMP-KNQAVFIVSA-N
MW483.59 g/mol
LogP3.16
Rot. Bonds9

About 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol

2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol (PubChem CID 10028254) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol
PubChem CID10028254
Molecular FormulaC26H34FN5O3
Molecular Weight483.59 g/mol
Exact Mass483.26
IUPAC Name2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(OC[C@@H]2CC[C@H]3CN(c4noc5ccc(F)cc45)CCN3C2)n1
InChIInChI=1S/C26H34FN5O3/c1-2-30(12-13-33)16-21-4-3-5-25(28-21)34-18-19-6-8-22-17-32(11-10-31(22)15-19)26-23-14-20(27)7-9-24(23)35-29-26/h3-5,7,9,14,19,22,33H,2,6,8,10-13,15-18H2,1H3/t19-,22+/m1/s1
InChIKeyNGUJXBGCQFUJMP-KNQAVFIVSA-N
XLogP3.16
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol?
The IUPAC name of 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol (CID 10028254) is 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol?
The canonical SMILES for 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol is CCN(CCO)Cc1cccc(OC[C@@H]2CC[C@H]3CN(c4noc5ccc(F)cc45)CCN3C2)n1.
What is the InChIKey of 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol?
The InChIKey is NGUJXBGCQFUJMP-KNQAVFIVSA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-2-30(12-13-33)16-21-4-3-5-25(28-21)34-18-19-6-8-22-17-32(11-10-31(22)15-19)26-23-14-20(27)7-9-24(23)35-29-26/h3-5,7,9,14,19,22,33H,2,6,8,10-13,15-18H2,1H3/t19-,22+/m1/s1.
What are the key properties of 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol?
2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol has a molecular weight of 483.59 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl-ethylamino]ethanol is sourced from PubChem (CID 10028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).