(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one

C25H32N4O4 — CID 69459074

IUPAC(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Cc1c[nH]c2c(O[C@H](C)C(=O)N3CCOCC3)cccc12)NC[C@H](O)c1cccnc1
InChIInChI=1S/C25H32N4O4/c1-17(27-16-22(30)19-5-4-8-26-14-19)13-20-15-28-24-21(20)6-3-7-23(24)33-18(2)25(31)29-9-11-32-12-10-29/h3-8,14-15,17-18,22,27-28,30H,9-13,16H2,1-2H3/t17-,18-,22+/m1/s1
InChIKeyQHKCLUQXRSHLOJ-HMFYCAOWSA-N
MW452.56 g/mol
LogP2.44
Rot. Bonds9

About (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one

(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 69459074) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
PubChem CID69459074
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Cc1c[nH]c2c(O[C@H](C)C(=O)N3CCOCC3)cccc12)NC[C@H](O)c1cccnc1
InChIInChI=1S/C25H32N4O4/c1-17(27-16-22(30)19-5-4-8-26-14-19)13-20-15-28-24-21(20)6-3-7-23(24)33-18(2)25(31)29-9-11-32-12-10-29/h3-8,14-15,17-18,22,27-28,30H,9-13,16H2,1-2H3/t17-,18-,22+/m1/s1
InChIKeyQHKCLUQXRSHLOJ-HMFYCAOWSA-N
XLogP2.44
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one (CID 69459074) is (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one is C[C@H](Cc1c[nH]c2c(O[C@H](C)C(=O)N3CCOCC3)cccc12)NC[C@H](O)c1cccnc1.
What is the InChIKey of (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is QHKCLUQXRSHLOJ-HMFYCAOWSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17(27-16-22(30)19-5-4-8-26-14-19)13-20-15-28-24-21(20)6-3-7-23(24)33-18(2)25(31)29-9-11-32-12-10-29/h3-8,14-15,17-18,22,27-28,30H,9-13,16H2,1-2H3/t17-,18-,22+/m1/s1.
What are the key properties of (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 452.56 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69459074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).