4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one

C19H20F3N5O3 — CID 169236234

IUPAC4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C(F)(F)F)n3)c2c1
InChIInChI=1S/C19H20F3N5O3/c1-11(2)30-12-3-4-14-13(9-12)17(24-23-14)15-10-16(26-5-7-29-8-6-26)18(28)27(25-15)19(20,21)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,24)
InChIKeyJOZALPGQMXDNQE-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.89
Rot. Bonds4

About 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one

4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one (PubChem CID 169236234) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
PubChem CID169236234
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C(F)(F)F)n3)c2c1
InChIInChI=1S/C19H20F3N5O3/c1-11(2)30-12-3-4-14-13(9-12)17(24-23-14)15-10-16(26-5-7-29-8-6-26)18(28)27(25-15)19(20,21)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,24)
InChIKeyJOZALPGQMXDNQE-UHFFFAOYSA-N
XLogP2.89
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one (CID 169236234) is 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C(F)(F)F)n3)c2c1.
What is the InChIKey of 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one?
The InChIKey is JOZALPGQMXDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-11(2)30-12-3-4-14-13(9-12)17(24-23-14)15-10-16(26-5-7-29-8-6-26)18(28)27(25-15)19(20,21)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,24).
What are the key properties of 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one?
4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one has a molecular weight of 423.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 169236234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).