6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one

C9H7N3O — CID 175607322

IUPAC6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one
SMILESO=C1NCc2cc3[nH]ncc3cc21
InChIInChI=1S/C9H7N3O/c13-9-7-1-6-4-11-12-8(6)2-5(7)3-10-9/h1-2,4H,3H2,(H,10,13)(H,11,12)
InChIKeyMCQMYYBXVASHGY-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.81
Rot. Bonds

About 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one

6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one (PubChem CID 175607322) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one.

Molecular Properties

Compound Name6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one
PubChem CID175607322
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one
SMILESO=C1NCc2cc3[nH]ncc3cc21
InChIInChI=1S/C9H7N3O/c13-9-7-1-6-4-11-12-8(6)2-5(7)3-10-9/h1-2,4H,3H2,(H,10,13)(H,11,12)
InChIKeyMCQMYYBXVASHGY-UHFFFAOYSA-N
XLogP0.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 76848612
1H-indazole-5-thiolate
CID 51922109
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064721
5,6-diethyl-1H-indazole
CID 123175477
5-isocyano-2,3-dihydroisoindol-1-one
CID 123852745
CID 174116706
CID 174116706
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
CID 166457819
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 153301418
6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one
CID 140925379
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole
CID 170093057

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one?
The IUPAC name of 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one (CID 175607322) is 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one.
What is the SMILES notation for 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one?
The canonical SMILES for 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one is O=C1NCc2cc3[nH]ncc3cc21.
What is the InChIKey of 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one?
The InChIKey is MCQMYYBXVASHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-9-7-1-6-4-11-12-8(6)2-5(7)3-10-9/h1-2,4H,3H2,(H,10,13)(H,11,12).
What are the key properties of 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one?
6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one has a molecular weight of 173.18 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one is sourced from PubChem (CID 175607322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).