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

C17H15N3O2 — CID 675383

IUPAC(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)C[C@@H](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/t12-/m0/s1
InChIKeyZJLKLJGKPBRMPR-LBPRGKRZSA-N
MW293.33 g/mol
LogP3.08
Rot. Bonds2

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

(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 675383) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID675383
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)C[C@@H](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/t12-/m0/s1
InChIKeyZJLKLJGKPBRMPR-LBPRGKRZSA-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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Related Compounds

(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732861
1-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 23246851
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 40900714
(7S)-7-(furan-2-yl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601691
3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903618
1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584382
(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 41387118
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961693
3-(3-chloroanilino)-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903627
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 675383) is (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccccn2)c2c1C(=O)C[C@@H](c1ccco1)C2.
What is the InChIKey of (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZJLKLJGKPBRMPR-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
(6S)-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 (6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 675383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).