[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

C18H20N4O — CID 50778956

IUPAC[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC2CCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O/c23-18(22-12-11-13-5-1-4-8-16(13)22)15-9-10-17(21-20-15)19-14-6-2-3-7-14/h1,4-5,8-10,14H,2-3,6-7,11-12H2,(H,19,21)
InChIKeyCDKMJSKPFFSVRX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.03
Rot. Bonds3

About [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone

[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 50778956) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID50778956
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC2CCCC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O/c23-18(22-12-11-13-5-1-4-8-16(13)22)15-9-10-17(21-20-15)19-14-6-2-3-7-14/h1,4-5,8-10,14H,2-3,6-7,11-12H2,(H,19,21)
InChIKeyCDKMJSKPFFSVRX-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 50778956) is [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(NC2CCCC2)nn1)N1CCc2ccccc21.
What is the InChIKey of [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CDKMJSKPFFSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(22-12-11-13-5-1-4-8-16(13)22)15-9-10-17(21-20-15)19-14-6-2-3-7-14/h1,4-5,8-10,14H,2-3,6-7,11-12H2,(H,19,21).
What are the key properties of [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 50778956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).