1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C22H28N4O2 — CID 166212514

IUPAC1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1CC
InChIInChI=1S/C22H28N4O2/c1-3-15-18(21(27)26-25-19(15)4-2)12-23-22(28)24-20-16-9-5-7-13(16)11-14-8-6-10-17(14)20/h11H,3-10,12H2,1-2H3,(H,26,27)(H2,23,24,28)
InChIKeyQZLZYUMKVCFGCM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.19
Rot. Bonds5

About 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 166212514) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID166212514
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1CC
InChIInChI=1S/C22H28N4O2/c1-3-15-18(21(27)26-25-19(15)4-2)12-23-22(28)24-20-16-9-5-7-13(16)11-14-8-6-10-17(14)20/h11H,3-10,12H2,1-2H3,(H,26,27)(H2,23,24,28)
InChIKeyQZLZYUMKVCFGCM-UHFFFAOYSA-N
XLogP3.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 166212514) is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CCc1n[nH]c(=O)c(CNC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1CC.
What is the InChIKey of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is QZLZYUMKVCFGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-15-18(21(27)26-25-19(15)4-2)12-23-22(28)24-20-16-9-5-7-13(16)11-14-8-6-10-17(14)20/h11H,3-10,12H2,1-2H3,(H,26,27)(H2,23,24,28).
What are the key properties of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 380.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 166212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).