(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

C18H15N3O — CID 745484

IUPAC(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22)/t14-/m1/s1
InChIKeyCMYOELAEZMTMGH-CQSZACIVSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds2

About (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 745484) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID745484
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22)/t14-/m1/s1
InChIKeyCMYOELAEZMTMGH-CQSZACIVSA-N
XLogP3.18
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 974052
3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 10471087
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775
3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 17272196
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 3687480
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
CID 22833237
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046
4-[3-(1H-indol-3-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826810
(6R)-6-(1H-indol-3-yl)-1-(2-methylpropanoyl)-3-phenyl-4,6-dihydro-1,2,4-triazin-5-one
CID 135737691

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (CID 745484) is (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccccc2)C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CMYOELAEZMTMGH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
(5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 289.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 745484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).