5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one

C20H16N4O — CID 135961896

IUPAC5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1C1CC1
InChIInChI=1S/C20H16N4O/c25-20-15(11-17(23-24-20)12-7-9-21-10-8-12)19-18(13-5-6-13)14-3-1-2-4-16(14)22-19/h1-4,7-11,13,22H,5-6H2,(H,24,25)
InChIKeyQSUQFUUGCSXQJS-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.86
Rot. Bonds3

About 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one

5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135961896) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135961896
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1C1CC1
InChIInChI=1S/C20H16N4O/c25-20-15(11-17(23-24-20)12-7-9-21-10-8-12)19-18(13-5-6-13)14-3-1-2-4-16(14)22-19/h1-4,7-11,13,22H,5-6H2,(H,24,25)
InChIKeyQSUQFUUGCSXQJS-UHFFFAOYSA-N
XLogP3.86
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135961896) is 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1C1CC1.
What is the InChIKey of 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is QSUQFUUGCSXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20-15(11-17(23-24-20)12-7-9-21-10-8-12)19-18(13-5-6-13)14-3-1-2-4-16(14)22-19/h1-4,7-11,13,22H,5-6H2,(H,24,25).
What are the key properties of 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 328.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135961896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).