4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole

C22H24F2N4O — CID 126952819

IUPAC4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
SMILESFC(F)Cn1ccc2c(OC3CCN(c4ccc(C5CC5)nn4)CC3)cccc21
InChIInChI=1S/C22H24F2N4O/c23-21(24)14-28-13-10-17-19(28)2-1-3-20(17)29-16-8-11-27(12-9-16)22-7-6-18(25-26-22)15-4-5-15/h1-3,6-7,10,13,15-16,21H,4-5,8-9,11-12,14H2
InChIKeyKXBGCWQXAWPXKQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.62
Rot. Bonds6

About 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole

4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole (PubChem CID 126952819) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole.

Molecular Properties

Compound Name4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
PubChem CID126952819
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
SMILESFC(F)Cn1ccc2c(OC3CCN(c4ccc(C5CC5)nn4)CC3)cccc21
InChIInChI=1S/C22H24F2N4O/c23-21(24)14-28-13-10-17-19(28)2-1-3-20(17)29-16-8-11-27(12-9-16)22-7-6-18(25-26-22)15-4-5-15/h1-3,6-7,10,13,15-16,21H,4-5,8-9,11-12,14H2
InChIKeyKXBGCWQXAWPXKQ-UHFFFAOYSA-N
XLogP4.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
CID 126952930
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
CID 126952788
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
CID 126953445

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole?
The IUPAC name of 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole (CID 126952819) is 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole.
What is the SMILES notation for 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole?
The canonical SMILES for 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole is FC(F)Cn1ccc2c(OC3CCN(c4ccc(C5CC5)nn4)CC3)cccc21.
What is the InChIKey of 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole?
The InChIKey is KXBGCWQXAWPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c23-21(24)14-28-13-10-17-19(28)2-1-3-20(17)29-16-8-11-27(12-9-16)22-7-6-18(25-26-22)15-4-5-15/h1-3,6-7,10,13,15-16,21H,4-5,8-9,11-12,14H2.
What are the key properties of 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole?
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole has a molecular weight of 398.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole is sourced from PubChem (CID 126952819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).