2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

C25H26N6O2 — CID 135461273

IUPAC2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCCCC2)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21
InChIInChI=1S/C25H26N6O2/c1-25(2)16-12-18-19(27-23(26-18)22-15-8-4-5-9-17(15)28-29-22)13-20(16)31(24(25)33)14-21(32)30-10-6-3-7-11-30/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyJHEOFGCWYOVZDI-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.74
Rot. Bonds3

About 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one

2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135461273) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135461273
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(CC(=O)N2CCCCC2)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21
InChIInChI=1S/C25H26N6O2/c1-25(2)16-12-18-19(27-23(26-18)22-15-8-4-5-9-17(15)28-29-22)13-20(16)31(24(25)33)14-21(32)30-10-6-3-7-11-30/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyJHEOFGCWYOVZDI-UHFFFAOYSA-N
XLogP3.74
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135487519
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
5-(cyclopropylmethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one;5,6-diamino-1-(cyclopropylmethyl)-3,3-dimethylindol-2-one
CID 159661590
5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
CID 141143475
3,3-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 51691258
5-ethyl-2-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indazol-3-yl]-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797371
acetic acid;2-[5-(1,3-benzodioxol-5-yl)-1H-indazol-3-yl]-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135797361
2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
CID 135502960
5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135425336
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
5-ethyl-7,7-dimethyl-2-pyridin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70422686
2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135526527

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135461273) is 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)N(CC(=O)N2CCCCC2)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21.
What is the InChIKey of 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is JHEOFGCWYOVZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-25(2)16-12-18-19(27-23(26-18)22-15-8-4-5-9-17(15)28-29-22)13-20(16)31(24(25)33)14-21(32)30-10-6-3-7-11-30/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one?
2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 442.52 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135461273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).