1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone

C23H26N4O3 — CID 155504219

IUPAC1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H26N4O3/c28-23(18-4-3-17-5-7-25-20(17)14-18)27-10-13-30-21(16-26-8-11-29-12-9-26)22(27)19-2-1-6-24-15-19/h1-7,14-15,21-22,25H,8-13,16H2/t21-,22-/m0/s1
InChIKeyHEMHBKSOGFDAOK-VXKWHMMOSA-N
MW406.49 g/mol
LogP2.48
Rot. Bonds4

About 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone

1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone (PubChem CID 155504219) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
PubChem CID155504219
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H26N4O3/c28-23(18-4-3-17-5-7-25-20(17)14-18)27-10-13-30-21(16-26-8-11-29-12-9-26)22(27)19-2-1-6-24-15-19/h1-7,14-15,21-22,25H,8-13,16H2/t21-,22-/m0/s1
InChIKeyHEMHBKSOGFDAOK-VXKWHMMOSA-N
XLogP2.48
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone 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 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone (CID 155504219) is 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone is O=C(c1ccc2cc[nH]c2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
The InChIKey is HEMHBKSOGFDAOK-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-23(18-4-3-17-5-7-25-20(17)14-18)27-10-13-30-21(16-26-8-11-29-12-9-26)22(27)19-2-1-6-24-15-19/h1-7,14-15,21-22,25H,8-13,16H2/t21-,22-/m0/s1.
What are the key properties of 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone?
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 155504219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).