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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Related Compounds

2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
CID 169236508
4-[5-(5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-yl]morpholine
CID 169236238
4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one
CID 169236429
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815
4-[(7R)-7-(hydroxymethyl)-1,4-oxazepan-4-yl]-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236529
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
4-(2,2-dimethyl-1,4-oxazepan-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236499
N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 175136889
4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236283

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).