N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide

C25H22N6O3 — CID 135501852

IUPACN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)c4cc5ccccc5o4)nc3cc21
InChIInChI=1S/C25H22N6O3/c1-4-31-18-11-16-15(10-14(18)25(2,3)24(31)33)27-22(28-16)21-17(12-26-30-21)29-23(32)20-9-13-7-5-6-8-19(13)34-20/h5-12H,4H2,1-3H3,(H,26,30)(H,27,28)(H,29,32)
InChIKeyRLIDUCLMTMGLPX-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.60
Rot. Bonds4

About N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide

N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 135501852) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide
PubChem CID135501852
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC NameN-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)c4cc5ccccc5o4)nc3cc21
InChIInChI=1S/C25H22N6O3/c1-4-31-18-11-16-15(10-14(18)25(2,3)24(31)33)27-22(28-16)21-17(12-26-30-21)29-23(32)20-9-13-7-5-6-8-19(13)34-20/h5-12H,4H2,1-3H3,(H,26,30)(H,27,28)(H,29,32)
InChIKeyRLIDUCLMTMGLPX-UHFFFAOYSA-N
XLogP4.60
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide (CID 135501852) is N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)c4cc5ccccc5o4)nc3cc21.
What is the InChIKey of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RLIDUCLMTMGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-4-31-18-11-16-15(10-14(18)25(2,3)24(31)33)27-22(28-16)21-17(12-26-30-21)29-23(32)20-9-13-7-5-6-8-19(13)34-20/h5-12H,4H2,1-3H3,(H,26,30)(H,27,28)(H,29,32).
What are the key properties of N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide?
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135501852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).