(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone

C23H24N4O3S — CID 110251052

IUPAC(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)cn1
InChIInChI=1S/C23H24N4O3S/c24-19-6-5-15(13-25-19)22(28)27-8-7-16(14-27)20-17-3-1-2-4-18(17)31-21(20)23(29)26-9-11-30-12-10-26/h1-6,13,16H,7-12,14H2,(H2,24,25)
InChIKeyXKQJHMNEHRTWON-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.98
Rot. Bonds3

About (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone

(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 110251052) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
PubChem CID110251052
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)cn1
InChIInChI=1S/C23H24N4O3S/c24-19-6-5-15(13-25-19)22(28)27-8-7-16(14-27)20-17-3-1-2-4-18(17)31-21(20)23(29)26-9-11-30-12-10-26/h1-6,13,16H,7-12,14H2,(H2,24,25)
InChIKeyXKQJHMNEHRTWON-UHFFFAOYSA-N
XLogP2.98
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063
(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
(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
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
3-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95816432
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
3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
CID 95812694
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
[3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 95812707
cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 124971996

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone (CID 110251052) is (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone is Nc1ccc(C(=O)N2CCC(c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is XKQJHMNEHRTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c24-19-6-5-15(13-25-19)22(28)27-8-7-16(14-27)20-17-3-1-2-4-18(17)31-21(20)23(29)26-9-11-30-12-10-26/h1-6,13,16H,7-12,14H2,(H2,24,25).
What are the key properties of (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 436.54 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110251052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).