N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C24H24N4O2S2 — CID 41023384

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H24N4O2S2/c1-16-22(24(30)28(26(16)2)17-7-4-3-5-8-17)25-21(29)15-27-12-10-19-18(11-14-32-19)23(27)20-9-6-13-31-20/h3-9,11,13-14,23H,10,12,15H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyOYLXJWQFHVXAKJ-HSZRJFAPSA-N
MW464.62 g/mol
LogP4.19
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 41023384) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID41023384
Molecular FormulaC24H24N4O2S2
Molecular Weight464.62 g/mol
Exact Mass464.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H24N4O2S2/c1-16-22(24(30)28(26(16)2)17-7-4-3-5-8-17)25-21(29)15-27-12-10-19-18(11-14-32-19)23(27)20-9-6-13-31-20/h3-9,11,13-14,23H,10,12,15H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyOYLXJWQFHVXAKJ-HSZRJFAPSA-N
XLogP4.19
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128676
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-(5-bromo-2-pyridinyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46667401
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-(5-chloro-2-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128720
N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24589322
N-(2,4-dichlorophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 45281412
methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate
CID 51708147
N-(3-cyanothiophen-2-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129148

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 41023384) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is OYLXJWQFHVXAKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c1-16-22(24(30)28(26(16)2)17-7-4-3-5-8-17)25-21(29)15-27-12-10-19-18(11-14-32-19)23(27)20-9-6-13-31-20/h3-9,11,13-14,23H,10,12,15H2,1-2H3,(H,25,29)/t23-/m1/s1.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 464.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 41023384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).