[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C20H21FN4O — CID 129356808

IUPAC[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1
InChIInChI=1S/C20H21FN4O/c1-24-10-8-18(23-24)15-3-2-9-25(13-15)20(26)19-11-16(12-22-19)14-4-6-17(21)7-5-14/h4-8,10-12,15,22H,2-3,9,13H2,1H3/t15-/m1/s1
InChIKeyIJAAFWPJUDJSNV-OAHLLOKOSA-N
MW352.41 g/mol
LogP3.57
Rot. Bonds3

About [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 129356808) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID129356808
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1
InChIInChI=1S/C20H21FN4O/c1-24-10-8-18(23-24)15-3-2-9-25(13-15)20(26)19-11-16(12-22-19)14-4-6-17(21)7-5-14/h4-8,10-12,15,22H,2-3,9,13H2,1H3/t15-/m1/s1
InChIKeyIJAAFWPJUDJSNV-OAHLLOKOSA-N
XLogP3.57
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-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

Related Compounds

[3-(4-fluorophenyl)azepan-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 121146282
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592247
(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103878
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124761269
1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86823293
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 90586698
[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 129356165

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 129356808) is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1.
What is the InChIKey of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IJAAFWPJUDJSNV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24-10-8-18(23-24)15-3-2-9-25(13-15)20(26)19-11-16(12-22-19)14-4-6-17(21)7-5-14/h4-8,10-12,15,22H,2-3,9,13H2,1H3/t15-/m1/s1.
What are the key properties of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129356808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).