6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one

C24H29N5O4 — CID 169236415

IUPAC6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nc(-c2nn(C3CCCCO3)c3ccc(OC4CC4)cc23)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H29N5O4/c1-27-24(30)21(28-9-12-31-13-10-28)15-19(25-27)23-18-14-17(33-16-5-6-16)7-8-20(18)29(26-23)22-4-2-3-11-32-22/h7-8,14-16,22H,2-6,9-13H2,1H3
InChIKeyXIRRYBKHVBSUMM-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.87
Rot. Bonds5

About 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one

6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one (PubChem CID 169236415) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
PubChem CID169236415
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nc(-c2nn(C3CCCCO3)c3ccc(OC4CC4)cc23)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H29N5O4/c1-27-24(30)21(28-9-12-31-13-10-28)15-19(25-27)23-18-14-17(33-16-5-6-16)7-8-20(18)29(26-23)22-4-2-3-11-32-22/h7-8,14-16,22H,2-6,9-13H2,1H3
InChIKeyXIRRYBKHVBSUMM-UHFFFAOYSA-N
XLogP2.87
TPSA83.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one with MolForge

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Related Compounds

ethane;6-[1-iodophosphanyl-5-(trifluoromethoxy)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236469
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657
tert-butyl-dimethyl-[3-(2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-1-(oxan-2-yl)indazol-5-yl]oxysilane
CID 165127912
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727900
2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
CID 169236508
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
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
2-[4-[5-[4-(methylamino)butan-2-yloxy]-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]ethyl formate
CID 166835936
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
tert-butyl-[3-[6-(3-methoxyazetidin-1-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(oxan-2-yl)indazol-5-yl]oxy-dimethylsilane
CID 165127683
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050

Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one (CID 169236415) is 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one is Cn1nc(-c2nn(C3CCCCO3)c3ccc(OC4CC4)cc23)cc(N2CCOCC2)c1=O.
What is the InChIKey of 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is XIRRYBKHVBSUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-27-24(30)21(28-9-12-31-13-10-28)15-19(25-27)23-18-14-17(33-16-5-6-16)7-8-20(18)29(26-23)22-4-2-3-11-32-22/h7-8,14-16,22H,2-6,9-13H2,1H3.
What are the key properties of 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one?
6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 451.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 169236415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).