[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

C24H18Cl2F2N6O2S — CID 170755583

IUPAC[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(c1ccccn1)C2
InChIInChI=1S/C24H18Cl2F2N6O2S/c25-16-5-4-14(7-17(16)26)24(27,28)22-32-31-20(36-22)15-9-33(21(35)18-8-29-13-37-18)10-23(15)11-34(12-23)19-3-1-2-6-30-19/h1-8,13,15H,9-12H2
InChIKeyRHLGDNSEDPJFPW-UHFFFAOYSA-N
MW563.42 g/mol
LogP5.11
Rot. Bonds5

About [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 170755583) has the molecular formula C24H18Cl2F2N6O2S and a molecular weight of 563.42 g/mol. Its IUPAC name is [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID170755583
Molecular FormulaC24H18Cl2F2N6O2S
Molecular Weight563.42 g/mol
Exact Mass562.06
IUPAC Name[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(c1ccccn1)C2
InChIInChI=1S/C24H18Cl2F2N6O2S/c25-16-5-4-14(7-17(16)26)24(27,28)22-32-31-20(36-22)15-9-33(21(35)18-8-29-13-37-18)10-23(15)11-34(12-23)19-3-1-2-6-30-19/h1-8,13,15H,9-12H2
InChIKeyRHLGDNSEDPJFPW-UHFFFAOYSA-N
XLogP5.11
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (CID 170755583) is [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(c1ccccn1)C2.
What is the InChIKey of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is RHLGDNSEDPJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F2N6O2S/c25-16-5-4-14(7-17(16)26)24(27,28)22-32-31-20(36-22)15-9-33(21(35)18-8-29-13-37-18)10-23(15)11-34(12-23)19-3-1-2-6-30-19/h1-8,13,15H,9-12H2.
What are the key properties of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?
[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 563.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridin-2-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170755583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).