morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone

C23H25N3O2S — CID 110253769

IUPACmorpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C1CCN(Cc2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C23H25N3O2S/c27-23(26-11-13-28-14-12-26)22-21(19-3-1-2-4-20(19)29-22)18-7-10-25(16-18)15-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2
InChIKeyBKSBNNTYUGSTKF-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.76
Rot. Bonds4

About morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone

morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone (PubChem CID 110253769) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
PubChem CID110253769
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Namemorpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C1CCN(Cc2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C23H25N3O2S/c27-23(26-11-13-28-14-12-26)22-21(19-3-1-2-4-20(19)29-22)18-7-10-25(16-18)15-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2
InChIKeyBKSBNNTYUGSTKF-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
CID 95812694
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063
morpholin-4-yl-[3-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 95816295
1-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95812486
(4-methylthiadiazol-5-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251160
(4-methylthiadiazol-5-yl)-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 95812755
(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
[3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 95812707
(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251052
3-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95816432
morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
CID 92619490

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone (CID 110253769) is morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone is O=C(c1sc2ccccc2c1C1CCN(Cc2ccncc2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone?
The InChIKey is BKSBNNTYUGSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(26-11-13-28-14-12-26)22-21(19-3-1-2-4-20(19)29-22)18-7-10-25(16-18)15-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2.
What are the key properties of morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone?
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 110253769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).