[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone

C20H22FN3OS — CID 53191437

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone
SMILESCC(C)n1cc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C20H22FN3OS/c1-14(2)24-12-15-11-18(26-19(15)13-24)20(25)23-9-7-22(8-10-23)17-5-3-16(21)4-6-17/h3-6,11-14H,7-10H2,1-2H3
InChIKeyQLITZKUVXUQMBW-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.39
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone (PubChem CID 53191437) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone
PubChem CID53191437
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone
SMILESCC(C)n1cc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C20H22FN3OS/c1-14(2)24-12-15-11-18(26-19(15)13-24)20(25)23-9-7-22(8-10-23)17-5-3-16(21)4-6-17/h3-6,11-14H,7-10H2,1-2H3
InChIKeyQLITZKUVXUQMBW-UHFFFAOYSA-N
XLogP4.39
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorobenzyl)-5-({4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}carbonyl)-4H-thieno[3,2-b]pyrrole
CID 3244084
10-[(2-Fluorophenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243731
4-Ethyl-10-[(2-fluorophenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243732
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 42606221
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(thieno[3,2-b]thiophen-2-yl)methanone
CID 42606340
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(thieno[2,3-b]thiophen-2-yl)methanone
CID 42606455
N-ethyl-2-(5-(piperidine-1-carbonyl)-4H-thieno[3,2-b]pyrrol-4-yl)-N-(m-tolyl)acetamide (7)
CID 124155055
10-[(2-Fluorophenyl)methyl]-4-methyl-7-propan-2-yl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243743
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid benzyl-pyridin-2-ylmethyl-amide
CID 651232
2-[5-(4-Ethyl-piperazine-1-carbonyl)-thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone
CID 655647
5-[(4-benzylpiperidin-1-yl)carbonyl]-4-ethyl-4H-thieno[3,2-b]pyrrole
CID 3241693
4-methyl-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-4H-thieno[3,2-b]pyrrole
CID 3244734

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone (CID 53191437) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone is CC(C)n1cc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone?
The InChIKey is QLITZKUVXUQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-14(2)24-12-15-11-18(26-19(15)13-24)20(25)23-9-7-22(8-10-23)17-5-3-16(21)4-6-17/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthieno[2,3-c]pyrrol-2-yl)methanone is sourced from PubChem (CID 53191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).