(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol

C14H23N3O2 — CID 138055573

IUPAC(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol
SMILESCC(N[C@@H]1CCOC[C@H]1O)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H23N3O2/c1-10(15-11-5-7-19-9-13(11)18)12-8-17-6-3-2-4-14(17)16-12/h8,10-11,13,15,18H,2-7,9H2,1H3/t10?,11-,13-/m1/s1
InChIKeyLURPZADWRWJMHM-LIXJUXSLSA-N
MW265.36 g/mol
LogP1.02
Rot. Bonds3

About (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol

(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol (PubChem CID 138055573) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol
PubChem CID138055573
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol
SMILESCC(N[C@@H]1CCOC[C@H]1O)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H23N3O2/c1-10(15-11-5-7-19-9-13(11)18)12-8-17-6-3-2-4-14(17)16-12/h8,10-11,13,15,18H,2-7,9H2,1H3/t10?,11-,13-/m1/s1
InChIKeyLURPZADWRWJMHM-LIXJUXSLSA-N
XLogP1.02
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol?
The IUPAC name of (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol (CID 138055573) is (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol.
What is the SMILES notation for (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol?
The canonical SMILES for (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol is CC(N[C@@H]1CCOC[C@H]1O)c1cn2c(n1)CCCC2.
What is the InChIKey of (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol?
The InChIKey is LURPZADWRWJMHM-LIXJUXSLSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(15-11-5-7-19-9-13(11)18)12-8-17-6-3-2-4-14(17)16-12/h8,10-11,13,15,18H,2-7,9H2,1H3/t10?,11-,13-/m1/s1.
What are the key properties of (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol?
(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol has a molecular weight of 265.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol is sourced from PubChem (CID 138055573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).