(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride

C17H27ClN4OS — CID 120814021

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCC(N)C(C)(C)C3)cc12.Cl
InChIInChI=1S/C17H26N4OS.ClH/c1-10(2)14-11-8-12(23-16(11)20(5)19-14)15(22)21-7-6-13(18)17(3,4)9-21;/h8,10,13H,6-7,9,18H2,1-5H3;1H
InChIKeySYMHUSLKTZBYML-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.38
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride (PubChem CID 120814021) has the molecular formula C17H27ClN4OS and a molecular weight of 370.95 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
PubChem CID120814021
Molecular FormulaC17H27ClN4OS
Molecular Weight370.95 g/mol
Exact Mass370.16
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCC(N)C(C)(C)C3)cc12.Cl
InChIInChI=1S/C17H26N4OS.ClH/c1-10(2)14-11-8-12(23-16(11)20(5)19-14)15(22)21-7-6-13(18)17(3,4)9-21;/h8,10,13H,6-7,9,18H2,1-5H3;1H
InChIKeySYMHUSLKTZBYML-UHFFFAOYSA-N
XLogP3.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride (CID 120814021) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride is CC(C)c1nn(C)c2sc(C(=O)N3CCC(N)C(C)(C)C3)cc12.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The InChIKey is SYMHUSLKTZBYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS.ClH/c1-10(2)14-11-8-12(23-16(11)20(5)19-14)15(22)21-7-6-13(18)17(3,4)9-21;/h8,10,13H,6-7,9,18H2,1-5H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride has a molecular weight of 370.95 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 120814021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).