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

C18H14ClN3O — CID 974052

IUPAC(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)17-9-14(18(23)22-21-17)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)/t14-/m1/s1
InChIKeyNTUAOINAOPHOSG-CQSZACIVSA-N
MW323.78 g/mol
LogP3.83
Rot. Bonds2

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

(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 974052) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID974052
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)17-9-14(18(23)22-21-17)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)/t14-/m1/s1
InChIKeyNTUAOINAOPHOSG-CQSZACIVSA-N
XLogP3.83
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 974052) is (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NTUAOINAOPHOSG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-12-7-5-11(6-8-12)17-9-14(18(23)22-21-17)15-10-20-16-4-2-1-3-13(15)16/h1-8,10,14,20H,9H2,(H,22,23)/t14-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 323.78 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 974052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).