(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one

C18H16ClN3O2 — CID 41387118

IUPAC(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C18H16ClN3O2/c1-20-18-17-14(22(21-18)13-6-4-12(19)5-7-13)9-11(10-15(17)23)16-3-2-8-24-16/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyNOIOAGNLKNMVLA-LLVKDONJSA-N
MW341.80 g/mol
LogP4.07
Rot. Bonds3

About (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one

(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (PubChem CID 41387118) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
PubChem CID41387118
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C18H16ClN3O2/c1-20-18-17-14(22(21-18)13-6-4-12(19)5-7-13)9-11(10-15(17)23)16-3-2-8-24-16/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyNOIOAGNLKNMVLA-LLVKDONJSA-N
XLogP4.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584382
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
3-(3-chloroanilino)-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903627
1-(4-fluorophenyl)-6-(furan-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one
CID 17168566
3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903618
6-(furan-2-yl)-3-(3-methoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16584398
1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903792
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903741
1-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 23246851
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 (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (CID 41387118) is (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is CNc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccco1)C2.
What is the InChIKey of (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NOIOAGNLKNMVLA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-20-18-17-14(22(21-18)13-6-4-12(19)5-7-13)9-11(10-15(17)23)16-3-2-8-24-16/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 341.80 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 41387118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).