[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C21H20FN5O2S — CID 75902451

IUPAC[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2)n1
InChIInChI=1S/C21H20FN5O2S/c1-12-17-10-18(30-21(17)27(24-12)16-7-5-15(22)6-8-16)20(28)26-9-3-4-14(11-26)19-23-13(2)25-29-19/h5-8,10,14H,3-4,9,11H2,1-2H3
InChIKeyXNJCXTVZCZUGNR-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.25
Rot. Bonds3

About [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 75902451) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID75902451
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2)n1
InChIInChI=1S/C21H20FN5O2S/c1-12-17-10-18(30-21(17)27(24-12)16-7-5-15(22)6-8-16)20(28)26-9-3-4-14(11-26)19-23-13(2)25-29-19/h5-8,10,14H,3-4,9,11H2,1-2H3
InChIKeyXNJCXTVZCZUGNR-UHFFFAOYSA-N
XLogP4.25
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2999178
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
CID 119579939

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 75902451) is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCCN(C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2)n1.
What is the InChIKey of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XNJCXTVZCZUGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c1-12-17-10-18(30-21(17)27(24-12)16-7-5-15(22)6-8-16)20(28)26-9-3-4-14(11-26)19-23-13(2)25-29-19/h5-8,10,14H,3-4,9,11H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 425.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75902451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).