1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide

C23H28N4O3 — CID 78849538

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1
InChIInChI=1S/C23H28N4O3/c1-15-12-16(2)26(25-15)9-5-8-24-23(28)20-13-17(3)27(18(20)4)19-6-7-21-22(14-19)30-11-10-29-21/h6-7,12-14H,5,8-11H2,1-4H3,(H,24,28)
InChIKeyRXJFULZRENTZER-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.50
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 78849538) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID78849538
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1
InChIInChI=1S/C23H28N4O3/c1-15-12-16(2)26(25-15)9-5-8-24-23(28)20-13-17(3)27(18(20)4)19-6-7-21-22(14-19)30-11-10-29-21/h6-7,12-14H,5,8-11H2,1-4H3,(H,24,28)
InChIKeyRXJFULZRENTZER-UHFFFAOYSA-N
XLogP3.50
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-propylpyrrole-3-carboxamide
CID 35561848
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(N,3-dimethylanilino)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 166380897
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrrole-3-carboxamide
CID 55689207
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55595431
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 75394998
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 37484710
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-phenylmethoxypyrrole-3-carboxamide
CID 55567277
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrrole-3-carboxamide
CID 52723763
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 167829729

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide (CID 78849538) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is RXJFULZRENTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-12-16(2)26(25-15)9-5-8-24-23(28)20-13-17(3)27(18(20)4)19-6-7-21-22(14-19)30-11-10-29-21/h6-7,12-14H,5,8-11H2,1-4H3,(H,24,28).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 78849538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).