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

C20H24ClFN4OS — CID 119516664

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(C)N)CC3)cc12.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-12(22)14-7-9-24(10-8-14)19(26)18-11-17-13(2)23-25(20(17)27-18)16-5-3-15(21)4-6-16;/h3-6,11-12,14H,7-10,22H2,1-2H3;1H
InChIKeyNOHQLZQUKHJEAZ-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.16
Rot. Bonds3

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

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride (PubChem CID 119516664) has the molecular formula C20H24ClFN4OS and a molecular weight of 422.96 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
PubChem CID119516664
Molecular FormulaC20H24ClFN4OS
Molecular Weight422.96 g/mol
Exact Mass422.13
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(C)N)CC3)cc12.Cl
InChIInChI=1S/C20H23FN4OS.ClH/c1-12(22)14-7-9-24(10-8-14)19(26)18-11-17-13(2)23-25(20(17)27-18)16-5-3-15(21)4-6-16;/h3-6,11-12,14H,7-10,22H2,1-2H3;1H
InChIKeyNOHQLZQUKHJEAZ-UHFFFAOYSA-N
XLogP4.16
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 55815704
[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
[(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]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
2-methylpropyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 39903158
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2037070
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 38212810

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride (CID 119516664) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(C(C)N)CC3)cc12.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The InChIKey is NOHQLZQUKHJEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS.ClH/c1-12(22)14-7-9-24(10-8-14)19(26)18-11-17-13(2)23-25(20(17)27-18)16-5-3-15(21)4-6-16;/h3-6,11-12,14H,7-10,22H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119516664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).