[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone

C23H27FN4O2S — CID 53139686

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone
SMILESCc1sc2cc(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c2c1CN1CCOCC1
InChIInChI=1S/C23H27FN4O2S/c1-16-17(15-26-10-12-30-13-11-26)22-21(31-16)14-19(25-22)23(29)28-8-6-27(7-9-28)20-5-3-2-4-18(20)24/h2-5,14,25H,6-13,15H2,1H3
InChIKeyRISGIJUKNLHGRG-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.47
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone (PubChem CID 53139686) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone
PubChem CID53139686
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone
SMILESCc1sc2cc(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c2c1CN1CCOCC1
InChIInChI=1S/C23H27FN4O2S/c1-16-17(15-26-10-12-30-13-11-26)22-21(31-16)14-19(25-22)23(29)28-8-6-27(7-9-28)20-5-3-2-4-18(20)24/h2-5,14,25H,6-13,15H2,1H3
InChIKeyRISGIJUKNLHGRG-UHFFFAOYSA-N
XLogP3.47
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139630
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518536
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
1-[4-[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 46043392
N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139653
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
CID 1489210

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone (CID 53139686) is [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone is Cc1sc2cc(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c2c1CN1CCOCC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone?
The InChIKey is RISGIJUKNLHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-16-17(15-26-10-12-30-13-11-26)22-21(31-16)14-19(25-22)23(29)28-8-6-27(7-9-28)20-5-3-2-4-18(20)24/h2-5,14,25H,6-13,15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone has a molecular weight of 442.56 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-3-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 53139686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).