(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H20N4O2S — CID 114683836

IUPAC(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3
InChIKeyDMLYTFKTMRFLSD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.37
Rot. Bonds1

About (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114683836) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114683836
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3
InChIKeyDMLYTFKTMRFLSD-UHFFFAOYSA-N
XLogP1.37
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187193
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961435
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683837
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 81036363
(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
CID 128523099
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 82184007

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114683836) is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12.
What is the InChIKey of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is DMLYTFKTMRFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3.
What are the key properties of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 308.41 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114683836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).