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

C24H30N4O4 — CID 69459962

IUPAC(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1cccc2c(CCNC[C@H](O)c3cccnc3)c[nH]c12)C(=O)N1CCOCC1
InChIInChI=1S/C24H30N4O4/c1-17(24(30)28-10-12-31-13-11-28)32-22-6-2-5-20-18(15-27-23(20)22)7-9-26-16-21(29)19-4-3-8-25-14-19/h2-6,8,14-15,17,21,26-27,29H,7,9-13,16H2,1H3/t17-,21+/m1/s1
InChIKeyFWFJQBDYXNDPHP-UTKZUKDTSA-N
MW438.53 g/mol
LogP2.05
Rot. Bonds9

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

(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 69459962) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
PubChem CID69459962
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1cccc2c(CCNC[C@H](O)c3cccnc3)c[nH]c12)C(=O)N1CCOCC1
InChIInChI=1S/C24H30N4O4/c1-17(24(30)28-10-12-31-13-11-28)32-22-6-2-5-20-18(15-27-23(20)22)7-9-26-16-21(29)19-4-3-8-25-14-19/h2-6,8,14-15,17,21,26-27,29H,7,9-13,16H2,1H3/t17-,21+/m1/s1
InChIKeyFWFJQBDYXNDPHP-UTKZUKDTSA-N
XLogP2.05
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-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-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one (CID 69459962) is (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one is C[C@@H](Oc1cccc2c(CCNC[C@H](O)c3cccnc3)c[nH]c12)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FWFJQBDYXNDPHP-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17(24(30)28-10-12-31-13-11-28)32-22-6-2-5-20-18(15-27-23(20)22)7-9-26-16-21(29)19-4-3-8-25-14-19/h2-6,8,14-15,17,21,26-27,29H,7,9-13,16H2,1H3/t17-,21+/m1/s1.
What are the key properties of (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 438.53 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69459962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).