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

C20H23FN4OS — CID 119434439

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCC3C(C)N)cc12
InChIInChI=1S/C20H23FN4OS/c1-12(22)17-5-3-4-10-24(17)19(26)18-11-16-13(2)23-25(20(16)27-18)15-8-6-14(21)7-9-15/h6-9,11-12,17H,3-5,10,22H2,1-2H3
InChIKeyXFFBUMCOEPYFEM-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.88
Rot. Bonds3

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

[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 119434439) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID119434439
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCC3C(C)N)cc12
InChIInChI=1S/C20H23FN4OS/c1-12(22)17-5-3-4-10-24(17)19(26)18-11-16-13(2)23-25(20(16)27-18)15-8-6-14(21)7-9-15/h6-9,11-12,17H,3-5,10,22H2,1-2H3
InChIKeyXFFBUMCOEPYFEM-UHFFFAOYSA-N
XLogP3.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415768
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2373019
2-methylpropyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 39903158
[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
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677354
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
1-(4-fluorophenyl)-3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55723438

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 119434439) is [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCC3C(C)N)cc12.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is XFFBUMCOEPYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-12(22)17-5-3-4-10-24(17)19(26)18-11-16-13(2)23-25(20(16)27-18)15-8-6-14(21)7-9-15/h6-9,11-12,17H,3-5,10,22H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 119434439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).