2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C22H26N4O2 — CID 126936711

IUPAC2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1ccc(C(C)NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-15-3-9-21(28-15)16(2)24-18-4-6-19(7-5-18)26-22(27)10-8-20(25-26)17-11-13-23-14-12-17/h3,8-14,16,18-19,24H,4-7H2,1-2H3
InChIKeyGIORKNWTCUEZHY-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.04
Rot. Bonds5

About 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936711) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936711
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1ccc(C(C)NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-15-3-9-21(28-15)16(2)24-18-4-6-19(7-5-18)26-22(27)10-8-20(25-26)17-11-13-23-14-12-17/h3,8-14,16,18-19,24H,4-7H2,1-2H3
InChIKeyGIORKNWTCUEZHY-UHFFFAOYSA-N
XLogP4.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]morpholine-4-sulfonamide
CID 126936628
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936730
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936711) is 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is Cc1ccc(C(C)NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)o1.
What is the InChIKey of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is GIORKNWTCUEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-3-9-21(28-15)16(2)24-18-4-6-19(7-5-18)26-22(27)10-8-20(25-26)17-11-13-23-14-12-17/h3,8-14,16,18-19,24H,4-7H2,1-2H3.
What are the key properties of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 378.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).