(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride

C18H20Cl2N4OS — CID 119376528

IUPAC(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCC(N)CC3)cc12.Cl
InChIInChI=1S/C18H19ClN4OS.ClH/c1-11-13-10-16(17(24)22-8-6-12(20)7-9-22)25-18(13)23(21-11)15-5-3-2-4-14(15)19;/h2-5,10,12H,6-9,20H2,1H3;1H
InChIKeyPHTPXMODZLPVAH-UHFFFAOYSA-N
MW411.36 g/mol
LogP4.03
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride (PubChem CID 119376528) has the molecular formula C18H20Cl2N4OS and a molecular weight of 411.36 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
PubChem CID119376528
Molecular FormulaC18H20Cl2N4OS
Molecular Weight411.36 g/mol
Exact Mass410.07
IUPAC Name(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCC(N)CC3)cc12.Cl
InChIInChI=1S/C18H19ClN4OS.ClH/c1-11-13-10-16(17(24)22-8-6-12(20)7-9-22)25-18(13)23(21-11)15-5-3-2-4-14(15)19;/h2-5,10,12H,6-9,20H2,1H3;1H
InChIKeyPHTPXMODZLPVAH-UHFFFAOYSA-N
XLogP4.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 34941582
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
(2S)-1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365116
2-[4-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55454705
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 29242423
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119412023
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320
3-[(2R)-1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137160010
(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2009988
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24610172
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride (CID 119376528) is (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride is Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCC(N)CC3)cc12.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
The InChIKey is PHTPXMODZLPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS.ClH/c1-11-13-10-16(17(24)22-8-6-12(20)7-9-22)25-18(13)23(21-11)15-5-3-2-4-14(15)19;/h2-5,10,12H,6-9,20H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride has a molecular weight of 411.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119376528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).