(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone

C19H22N4OS — CID 119380770

IUPAC(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC(N)C3)cc12
InChIInChI=1S/C19H22N4OS/c1-13-16-10-17(18(24)22-9-5-8-15(20)12-22)25-19(16)23(21-13)11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12,20H2,1H3
InChIKeyHDOXRXIKSHLGGG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.02
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone

(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 119380770) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID119380770
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC(N)C3)cc12
InChIInChI=1S/C19H22N4OS/c1-13-16-10-17(18(24)22-9-5-8-15(20)12-22)25-19(16)23(21-13)11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12,20H2,1H3
InChIKeyHDOXRXIKSHLGGG-UHFFFAOYSA-N
XLogP3.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119412023
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 112822529
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55464900
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 120535877
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822220
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521214
(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 42892420
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone (CID 119380770) is (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC(N)C3)cc12.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is HDOXRXIKSHLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-16-10-17(18(24)22-9-5-8-15(20)12-22)25-19(16)23(21-13)11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12,20H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 119380770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).