2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole

C22H23F2N7OS — CID 170723299

IUPAC2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC1CCN(Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cs2)CC1
InChIInChI=1S/C22H23F2N7OS/c1-14-4-6-30(7-5-14)11-18-8-16(13-33-18)19-12-31(29-26-19)10-17-3-2-15(9-25-17)21-27-28-22(32-21)20(23)24/h2-3,8-9,12-14,20H,4-7,10-11H2,1H3
InChIKeyRGGXZLZQUIVQRW-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.67
Rot. Bonds7

About 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 170723299) has the molecular formula C22H23F2N7OS and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID170723299
Molecular FormulaC22H23F2N7OS
Molecular Weight471.54 g/mol
Exact Mass471.17
IUPAC Name2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC1CCN(Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cs2)CC1
InChIInChI=1S/C22H23F2N7OS/c1-14-4-6-30(7-5-14)11-18-8-16(13-33-18)19-12-31(29-26-19)10-17-3-2-15(9-25-17)21-27-28-22(32-21)20(23)24/h2-3,8-9,12-14,20H,4-7,10-11H2,1H3
InChIKeyRGGXZLZQUIVQRW-UHFFFAOYSA-N
XLogP4.67
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(difluoromethyl)-5-[6-[[4-[5-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 176810988
2-(difluoromethyl)-5-[6-[[4-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170723294
2-(difluoromethyl)-5-[6-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443501
2-[6-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443032
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
2-(difluoromethyl)-5-[6-[[4-(1-propan-2-ylpiperidin-4-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443664
2-(difluoromethyl)-5-[6-[[4-(1H-indol-6-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162442993
2-(difluoromethyl)-5-[6-[[4-(1-propan-2-ylazetidin-3-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443111
2-(difluoromethyl)-5-[6-[(4-pyridin-2-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443333
[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 162443407
1-[4-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]piperazin-1-yl]ethanone
CID 162443320
2-(difluoromethyl)-5-[6-[[4-(1-ethyl-4-fluoropiperidin-4-yl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443586

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 170723299) is 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is CC1CCN(Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cs2)CC1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is RGGXZLZQUIVQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7OS/c1-14-4-6-30(7-5-14)11-18-8-16(13-33-18)19-12-31(29-26-19)10-17-3-2-15(9-25-17)21-27-28-22(32-21)20(23)24/h2-3,8-9,12-14,20H,4-7,10-11H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 471.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[4-[5-[(4-methylpiperidin-1-yl)methyl]thiophen-3-yl]triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170723299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).