1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H28N4O2S2 — CID 124628906

IUPAC1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc12
InChIInChI=1S/C23H28N4O2S2/c1-17-19-13-20(31-22(19)27(25-17)14-18-5-3-2-4-6-18)21(28)24-15-23(7-12-30-16-23)26-8-10-29-11-9-26/h2-6,13H,7-12,14-16H2,1H3,(H,24,28)/t23-/m1/s1
InChIKeyJDXMRERITHDLCH-HSZRJFAPSA-N
MW456.64 g/mol
LogP3.39
Rot. Bonds6

About 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 124628906) has the molecular formula C23H28N4O2S2 and a molecular weight of 456.64 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID124628906
Molecular FormulaC23H28N4O2S2
Molecular Weight456.64 g/mol
Exact Mass456.17
IUPAC Name1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc12
InChIInChI=1S/C23H28N4O2S2/c1-17-19-13-20(31-22(19)27(25-17)14-18-5-3-2-4-6-18)21(28)24-15-23(7-12-30-16-23)26-8-10-29-11-9-26/h2-6,13H,7-12,14-16H2,1H3,(H,24,28)/t23-/m1/s1
InChIKeyJDXMRERITHDLCH-HSZRJFAPSA-N
XLogP3.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
CID 29230028
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
3-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 25470437
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241
1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17463930
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17440886

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 124628906) is 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc12.
What is the InChIKey of 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JDXMRERITHDLCH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N4O2S2/c1-17-19-13-20(31-22(19)27(25-17)14-18-5-3-2-4-6-18)21(28)24-15-23(7-12-30-16-23)26-8-10-29-11-9-26/h2-6,13H,7-12,14-16H2,1H3,(H,24,28)/t23-/m1/s1.
What are the key properties of 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 456.64 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 124628906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).