5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile

C20H19F2N5O — CID 126952930

IUPAC5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)cn1
InChIInChI=1S/C20H19F2N5O/c21-19(22)13-27-9-6-16-17(27)2-1-3-18(16)28-15-4-7-26(8-5-15)20-12-24-14(10-23)11-25-20/h1-3,6,9,11-12,15,19H,4-5,7-8,13H2
InChIKeyOXRZGPKCWNFMFH-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.62
Rot. Bonds5

About 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile

5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126952930) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID126952930
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)cn1
InChIInChI=1S/C20H19F2N5O/c21-19(22)13-27-9-6-16-17(27)2-1-3-18(16)28-15-4-7-26(8-5-15)20-12-24-14(10-23)11-25-20/h1-3,6,9,11-12,15,19H,4-5,7-8,13H2
InChIKeyOXRZGPKCWNFMFH-UHFFFAOYSA-N
XLogP3.62
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
5-[4-(2-iodophenoxy)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485652
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
CID 126952788
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485866
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
1-(2-methoxyethyl)-4-(1-pyrimidin-4-ylpiperidin-4-yl)oxyindole
CID 126952266

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile (CID 126952930) is 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)cn1.
What is the InChIKey of 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OXRZGPKCWNFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-19(22)13-27-9-6-16-17(27)2-1-3-18(16)28-15-4-7-26(8-5-15)20-12-24-14(10-23)11-25-20/h1-3,6,9,11-12,15,19H,4-5,7-8,13H2.
What are the key properties of 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 383.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126952930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).