N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

C22H26N4O3S — CID 42394415

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)ccc1N1CCCC1=O
InChIInChI=1S/C22H26N4O3S/c1-13(2)12-26-22-16(14(3)24-26)11-19(30-22)21(28)23-15-7-8-17(18(10-15)29-4)25-9-5-6-20(25)27/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,23,28)
InChIKeyPPXAEXWMUYOSLN-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.45
Rot. Bonds6

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 42394415) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID42394415
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)ccc1N1CCCC1=O
InChIInChI=1S/C22H26N4O3S/c1-13(2)12-26-22-16(14(3)24-26)11-19(30-22)21(28)23-15-7-8-17(18(10-15)29-4)25-9-5-6-20(25)27/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,23,28)
InChIKeyPPXAEXWMUYOSLN-UHFFFAOYSA-N
XLogP4.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42932636
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 42146993
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 42394415) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PPXAEXWMUYOSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-13(2)12-26-22-16(14(3)24-26)11-19(30-22)21(28)23-15-7-8-17(18(10-15)29-4)25-9-5-6-20(25)27/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,23,28).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 42394415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).