6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

C17H15N3O2 — CID 3708524

IUPAC6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H15N3O2/c1-11-17-13(20(19-11)16-6-2-3-7-18-16)9-12(10-14(17)21)15-5-4-8-22-15/h2-8,12H,9-10H2,1H3
InChIKeyZJLKLJGKPBRMPR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.08
Rot. Bonds2

About 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3708524) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID3708524
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H15N3O2/c1-11-17-13(20(19-11)16-6-2-3-7-18-16)9-12(10-14(17)21)15-5-4-8-22-15/h2-8,12H,9-10H2,1H3
InChIKeyZJLKLJGKPBRMPR-UHFFFAOYSA-N
XLogP3.08
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 3708524) is 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccccn2)c2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZJLKLJGKPBRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-17-13(20(19-11)16-6-2-3-7-18-16)9-12(10-14(17)21)15-5-4-8-22-15/h2-8,12H,9-10H2,1H3.
What are the key properties of 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 293.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).