2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one

C20H17N5O — CID 135502960

IUPAC2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
SMILESO=C1Nc2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc2C12CCCC2
InChIInChI=1S/C20H17N5O/c26-19-20(7-3-4-8-20)12-9-15-16(10-14(12)23-19)22-18(21-15)17-11-5-1-2-6-13(11)24-25-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,21,22)(H,23,26)(H,24,25)
InChIKeyYSBOXNGGXKEZAB-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.87
Rot. Bonds1

About 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one

2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one (PubChem CID 135502960) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
PubChem CID135502960
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
SMILESO=C1Nc2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc2C12CCCC2
InChIInChI=1S/C20H17N5O/c26-19-20(7-3-4-8-20)12-9-15-16(10-14(12)23-19)22-18(21-15)17-11-5-1-2-6-13(11)24-25-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,21,22)(H,23,26)(H,24,25)
InChIKeyYSBOXNGGXKEZAB-UHFFFAOYSA-N
XLogP3.87
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-5-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
CID 135399653
5-ethyl-2-(1H-indazol-3-yl)-8,8-dimethyl-6,7-dihydro-1H-imidazo[4,5-g]quinoline
CID 141143475
3-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-N-phenyl-1H-indazole-5-carboxamide
CID 135466545
5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135487519
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
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
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 159918605
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one?
The IUPAC name of 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one (CID 135502960) is 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one.
What is the SMILES notation for 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one?
The canonical SMILES for 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one is O=C1Nc2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc2C12CCCC2.
What is the InChIKey of 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one?
The InChIKey is YSBOXNGGXKEZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-19-20(7-3-4-8-20)12-9-15-16(10-14(12)23-19)22-18(21-15)17-11-5-1-2-6-13(11)24-25-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,21,22)(H,23,26)(H,24,25).
What are the key properties of 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one?
2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one has a molecular weight of 343.39 g/mol, XLogP of 3.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one is sourced from PubChem (CID 135502960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).