1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide

C24H21N5O3S — CID 26250054

IUPAC1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C24H21N5O3S/c1-15-18-13-19(33-21(18)28(26-15)14-16-9-5-3-6-10-16)20(30)27-29-22(31)24(2,25-23(29)32)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,25,32)(H,27,30)/t24-/m0/s1
InChIKeyATWDQUMUFSNSKH-DEOSSOPVSA-N
MW459.53 g/mol
LogP3.57
Rot. Bonds5

About 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 26250054) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID26250054
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12
InChIInChI=1S/C24H21N5O3S/c1-15-18-13-19(33-21(18)28(26-15)14-16-9-5-3-6-10-16)20(30)27-29-22(31)24(2,25-23(29)32)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,25,32)(H,27,30)/t24-/m0/s1
InChIKeyATWDQUMUFSNSKH-DEOSSOPVSA-N
XLogP3.57
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-methyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 47005073
1-benzyl-3-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8885648
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 33147475
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8797532
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1-[(4-fluorophenyl)methyl]-3-methyl-N-phenylmethoxythieno[3,2-d]pyrazole-5-carboxamide
CID 26179859
1-benzyl-N-(4,4-difluoro-3-hydroxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 146108586

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 26250054) is 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12.
What is the InChIKey of 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ATWDQUMUFSNSKH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-15-18-13-19(33-21(18)28(26-15)14-16-9-5-3-6-10-16)20(30)27-29-22(31)24(2,25-23(29)32)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,25,32)(H,27,30)/t24-/m0/s1.
What are the key properties of 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 26250054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).