1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide

C24H25N5O3S — CID 24953968

IUPAC1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide
SMILESCCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc21
InChIInChI=1S/C24H25N5O3S/c1-4-29-19-10-14(7-8-17(19)24(2,3)23(29)32)22(31)25-21-16-12-28(13-18(16)26-27-21)20(30)11-15-6-5-9-33-15/h5-10H,4,11-13H2,1-3H3,(H2,25,26,27,31)
InChIKeyOXGGLZMIORPSIE-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.45
Rot. Bonds5

About 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide

1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide (PubChem CID 24953968) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide
PubChem CID24953968
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide
SMILESCCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc21
InChIInChI=1S/C24H25N5O3S/c1-4-29-19-10-14(7-8-17(19)24(2,3)23(29)32)22(31)25-21-16-12-28(13-18(16)26-27-21)20(30)11-15-6-5-9-33-15/h5-10H,4,11-13H2,1-3H3,(H2,25,26,27,31)
InChIKeyOXGGLZMIORPSIE-UHFFFAOYSA-N
XLogP3.45
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-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

4-tert-butyl-N-[5-(thien-2-ylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 10112131
4-(4-methylpiperazin-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 11751305
1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-3-[5-(pyrrolidin-1-ylmethyl)-1H-pyrazol-3-yl]urea
CID 5330579
4-(4-methylpiperazin-1-yl)-N-[5-(2-thiophen-3-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 44400234
4-tert-butyl-N-[5-(2-thiophen-3-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 44400295
2-(prop-2-enoylamino)-N-(6-thiophen-2-yl-1H-indazol-3-yl)benzamide
CID 162676188
N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide
CID 59508146
N-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide
CID 59508174
3-Fluoro-4-methyl-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]pyrrolidin-3-YL}benzamide
CID 91888165
2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide
CID 162666219
4-(4-methylpiperazin-4-ium-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 24916935
N-(3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 45498028

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide?
The IUPAC name of 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide (CID 24953968) is 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide.
What is the SMILES notation for 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide?
The canonical SMILES for 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide is CCN1C(=O)C(C)(C)c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc21.
What is the InChIKey of 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide?
The InChIKey is OXGGLZMIORPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-4-29-19-10-14(7-8-17(19)24(2,3)23(29)32)22(31)25-21-16-12-28(13-18(16)26-27-21)20(30)11-15-6-5-9-33-15/h5-10H,4,11-13H2,1-3H3,(H2,25,26,27,31).
What are the key properties of 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide?
1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethyl-2-oxo-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]indole-6-carboxamide is sourced from PubChem (CID 24953968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).