3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide

C25H20N6O2 — CID 135466545

IUPAC3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide
SMILESCC1(C)C(=O)Nc2cc3nc(-c4n[nH]c5ccc(C(=O)Nc6ccccc6)cc45)[nH]c3cc21
InChIInChI=1S/C25H20N6O2/c1-25(2)16-11-19-20(12-18(16)29-24(25)33)28-22(27-19)21-15-10-13(8-9-17(15)30-31-21)23(32)26-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,32)(H,27,28)(H,29,33)(H,30,31)
InChIKeySYSACJQLBCQSBE-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.59
Rot. Bonds3

About 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide

3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide (PubChem CID 135466545) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide
PubChem CID135466545
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide
SMILESCC1(C)C(=O)Nc2cc3nc(-c4n[nH]c5ccc(C(=O)Nc6ccccc6)cc45)[nH]c3cc21
InChIInChI=1S/C25H20N6O2/c1-25(2)16-11-19-20(12-18(16)29-24(25)33)28-22(27-19)21-15-10-13(8-9-17(15)30-31-21)23(32)26-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,32)(H,27,28)(H,29,33)(H,30,31)
InChIKeySYSACJQLBCQSBE-UHFFFAOYSA-N
XLogP4.59
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 159918605
4-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-3-methoxybenzoic acid
CID 21272689
2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
CID 135502960
5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide
CID 135767434
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 135501803
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
CID 136650351

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide (CID 135466545) is 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide is CC1(C)C(=O)Nc2cc3nc(-c4n[nH]c5ccc(C(=O)Nc6ccccc6)cc45)[nH]c3cc21.
What is the InChIKey of 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide?
The InChIKey is SYSACJQLBCQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-25(2)16-11-19-20(12-18(16)29-24(25)33)28-22(27-19)21-15-10-13(8-9-17(15)30-31-21)23(32)26-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,32)(H,27,28)(H,29,33)(H,30,31).
What are the key properties of 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide?
3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 135466545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).