3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

C24H24ClN7O2 — CID 177060611

IUPAC3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(OC3CCCC3)cc2Cl)nccn1-c1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C24H24ClN7O2/c25-20-15-19(34-18-3-1-2-4-18)10-11-21(20)27-23-24(33)32(14-13-26-23)17-8-5-16(6-9-17)7-12-22-28-30-31-29-22/h5-6,8-11,13-15,18H,1-4,7,12H2,(H,26,27)(H,28,29,30,31)
InChIKeyKMQCSWAYWHLHDK-UHFFFAOYSA-N
MW477.96 g/mol
LogP4.25
Rot. Bonds8

About 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (PubChem CID 177060611) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
PubChem CID177060611
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESO=c1c(Nc2ccc(OC3CCCC3)cc2Cl)nccn1-c1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C24H24ClN7O2/c25-20-15-19(34-18-3-1-2-4-18)10-11-21(20)27-23-24(33)32(14-13-26-23)17-8-5-16(6-9-17)7-12-22-28-30-31-29-22/h5-6,8-11,13-15,18H,1-4,7,12H2,(H,26,27)(H,28,29,30,31)
InChIKeyKMQCSWAYWHLHDK-UHFFFAOYSA-N
XLogP4.25
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The IUPAC name of 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (CID 177060611) is 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.
What is the SMILES notation for 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The canonical SMILES for 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is O=c1c(Nc2ccc(OC3CCCC3)cc2Cl)nccn1-c1ccc(CCc2nn[nH]n2)cc1.
What is the InChIKey of 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The InChIKey is KMQCSWAYWHLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c25-20-15-19(34-18-3-1-2-4-18)10-11-21(20)27-23-24(33)32(14-13-26-23)17-8-5-16(6-9-17)7-12-22-28-30-31-29-22/h5-6,8-11,13-15,18H,1-4,7,12H2,(H,26,27)(H,28,29,30,31).
What are the key properties of 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one has a molecular weight of 477.96 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is sourced from PubChem (CID 177060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).