7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

C18H17ClF2N4O3 — CID 155386789

IUPAC7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCN1CC2(C1)CN(Cc1cncc(-c3ccc(Cl)c(OC(F)F)c3)n1)C(=O)O2
InChIInChI=1S/C18H17ClF2N4O3/c1-24-8-18(9-24)10-25(17(26)28-18)7-12-5-22-6-14(23-12)11-2-3-13(19)15(4-11)27-16(20)21/h2-6,16H,7-10H2,1H3
InChIKeyPUOSICQCSZJYPF-UHFFFAOYSA-N
MW410.81 g/mol
LogP3.03
Rot. Bonds5

About 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 155386789) has the molecular formula C18H17ClF2N4O3 and a molecular weight of 410.81 g/mol. Its IUPAC name is 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
PubChem CID155386789
Molecular FormulaC18H17ClF2N4O3
Molecular Weight410.81 g/mol
Exact Mass410.10
IUPAC Name7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCN1CC2(C1)CN(Cc1cncc(-c3ccc(Cl)c(OC(F)F)c3)n1)C(=O)O2
InChIInChI=1S/C18H17ClF2N4O3/c1-24-8-18(9-24)10-25(17(26)28-18)7-12-5-22-6-14(23-12)11-2-3-13(19)15(4-11)27-16(20)21/h2-6,16H,7-10H2,1H3
InChIKeyPUOSICQCSZJYPF-UHFFFAOYSA-N
XLogP3.03
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (CID 155386789) is 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is CN1CC2(C1)CN(Cc1cncc(-c3ccc(Cl)c(OC(F)F)c3)n1)C(=O)O2.
What is the InChIKey of 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is PUOSICQCSZJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O3/c1-24-8-18(9-24)10-25(17(26)28-18)7-12-5-22-6-14(23-12)11-2-3-13(19)15(4-11)27-16(20)21/h2-6,16H,7-10H2,1H3.
What are the key properties of 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 410.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 155386789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).